2-(pyridin-2-ylmethylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide

C12H13N3OS2 — CID 88759671

IUPAC2-(pyridin-2-ylmethylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(SCc1ccccn1)C(=O)Nc1nccs1
InChIInChI=1S/C12H13N3OS2/c1-9(11(16)15-12-14-6-7-17-12)18-8-10-4-2-3-5-13-10/h2-7,9H,8H2,1H3,(H,14,15,16)
InChIKeyCTNWMDYLHUVBNL-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.80
Rot. Bonds5

About 2-(pyridin-2-ylmethylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide

2-(pyridin-2-ylmethylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 88759671) has the molecular formula C12H13N3OS2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(pyridin-2-ylmethylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID88759671
Molecular FormulaC12H13N3OS2
Molecular Weight279.39 g/mol
Exact Mass279.05
IUPAC Name2-(pyridin-2-ylmethylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(SCc1ccccn1)C(=O)Nc1nccs1
InChIInChI=1S/C12H13N3OS2/c1-9(11(16)15-12-14-6-7-17-12)18-8-10-4-2-3-5-13-10/h2-7,9H,8H2,1H3,(H,14,15,16)
InChIKeyCTNWMDYLHUVBNL-UHFFFAOYSA-N
XLogP2.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(pyridin-2-ylmethylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide 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

(2S)-2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 676358
(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 97038201
(2R)-2-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 2232967
2-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2888884
2-phenoxy-N-(1,3-thiazol-2-yl)propanamide
CID 4279674
(2R,3R)-3-methyl-2-phenyl-N-(1,3-thiazol-2-yl)pentanamide
CID 8762760
2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide
CID 6500981
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
(2S)-2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 1328923
(2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide
CID 59361268
3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 169288578
(2S)-2-(4-methylquinolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 42272488

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(pyridin-2-ylmethylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide (CID 88759671) is 2-(pyridin-2-ylmethylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(pyridin-2-ylmethylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(pyridin-2-ylmethylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide is CC(SCc1ccccn1)C(=O)Nc1nccs1.
What is the InChIKey of 2-(pyridin-2-ylmethylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is CTNWMDYLHUVBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS2/c1-9(11(16)15-12-14-6-7-17-12)18-8-10-4-2-3-5-13-10/h2-7,9H,8H2,1H3,(H,14,15,16).
What are the key properties of 2-(pyridin-2-ylmethylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide?
2-(pyridin-2-ylmethylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 279.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 88759671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).