Ethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate

C13H12FNO2SCAS 35978-33-7265.30 g/mol

Open in Covalent MOL file
OOSFH2N
Aryl halideEsterPrimary amine

Properties

Molecular formula
C13H12FNO2S
Molar mass
265.30 g/mol
Exact mass
265.0573 Da
logP
3.31Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
35978-33-7
SMILES
CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)N
InChIKey
CJMZLCRLBNZJQR-UHFFFAOYSA-N
InChI
InChI=1S/C13H12FNO2S/c1-2-17-13(16)11-10(7-18-12(11)15)8-3-5-9(14)6-4-8/h3-7H,2,15H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Ethyl 2-amino-4-(4-fluorophenyl)thiophene-3-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 2-amino-4-phenylthiophene-3-carboxylate4815-36-575 % similar 2-Amino-4-(4-bromophenyl)thiophene-3-carboxylic acid ethyl ester306934-99-674 % similar Ethyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate65234-09-574 % similar Ethyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate15854-11-272 % similar Ethyl 2-amino-4-methylthiophene-3-carboxylate43088-42-257 % similar Ethyl 4-fluorobenzoate451-46-752 % similar Ethyl 5-amino-1-(4-fluorophenyl)pyrazole-4-carboxylate138907-68-346 % similar Ethyl 2-aminothiophene-3-carboxylate31891-06-246 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook