2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine

C15H13N3S2 — CID 43300567

IUPAC2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine
SMILESNc1cccnc1SCc1csc(-c2ccccc2)n1
InChIInChI=1S/C15H13N3S2/c16-13-7-4-8-17-15(13)20-10-12-9-19-14(18-12)11-5-2-1-3-6-11/h1-9H,10,16H2
InChIKeyXJKXXVMLUPNLCL-UHFFFAOYSA-N
MW299.42 g/mol
LogP4.08
Rot. Bonds4

About 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine

2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine (PubChem CID 43300567) has the molecular formula C15H13N3S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine
PubChem CID43300567
Molecular FormulaC15H13N3S2
Molecular Weight299.42 g/mol
Exact Mass299.06
IUPAC Name2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine
SMILESNc1cccnc1SCc1csc(-c2ccccc2)n1
InChIInChI=1S/C15H13N3S2/c16-13-7-4-8-17-15(13)20-10-12-9-19-14(18-12)11-5-2-1-3-6-11/h1-9H,10,16H2
InChIKeyXJKXXVMLUPNLCL-UHFFFAOYSA-N
XLogP4.08
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-amino-2-pyridinyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid
CID 61319881
2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]aniline
CID 43248905
4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 4171231
3-methyl-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 2433072
4-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazole
CID 24618705
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628
4,6-dimethyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile
CID 4858805
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
(2-phenyl-1,3-thiazol-4-yl)methyl N'-aminocarbamimidothioate
CID 77060944
4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline
CID 43299180
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine?
The IUPAC name of 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine (CID 43300567) is 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine is Nc1cccnc1SCc1csc(-c2ccccc2)n1.
What is the InChIKey of 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine?
The InChIKey is XJKXXVMLUPNLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S2/c16-13-7-4-8-17-15(13)20-10-12-9-19-14(18-12)11-5-2-1-3-6-11/h1-9H,10,16H2.
What are the key properties of 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine?
2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine has a molecular weight of 299.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 43300567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).