chempirical

4-Pyridin-4-yl-thiazol-2-ylamine

C8H7N3SCAS 30235-28-0177.22 g/mol

Open in Covalent MOL file
NSNH2N
Primary amine

Properties

Molecular formula
C8H7N3S
Molar mass
177.22 g/mol
Exact mass
177.0361 Da
logP
1.79Crippen estimate
Polar surface area
51.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
30235-28-0
SMILES
C1=CN=CC=C1C2=CSC(=N2)N
InChIKey
CUSJGENRTWNHPV-UHFFFAOYSA-N
InChI
InChI=1S/C8H7N3S/c9-8-11-7(5-12-8)6-1-3-10-4-2-6/h1-5H,(H2,9,11)

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Names and synonyms

1 names
  • 4-(Pyridin-4-yl)-1,3-thiazol-2-amine

Work with 4-Pyridin-4-yl-thiazol-2-ylamine

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

4-(4-Methylphenyl)-1,3-thiazol-2(3H)-imine2103-91-563 % similar 4-(4-Bromophenyl)-1,3-thiazol-2-amine2103-94-863 % similar 4-(4-Pyridinyl)-2(3H)-thiazolethione77168-63-956 % similar 4-(3,4-Dimethyl-phenyl)-thiazol-2-ylamine104296-00-654 % similar 4-(3,4-Difluorophenyl)-1,3-thiazol-2-amine175135-32-753 % similar 2-Amino-4-(3,4-dichlorophenyl)thiazole39893-80-653 % similar 4-(3-Bromo-phenyl)-thiazol-2-ylamine105512-81-051 % similar N-(4-(2-Amino-1,3-thiazol-4-yl)phenyl)acetamide21674-96-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Phenyl-1,2,4-thiadiazol-5-amine17467-15-1 3-Mercapto-5-phenyl-1,2,4-triazole3414-94-6

Elsewhere

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