3-phenylsulfanyl-N-(1,3-thiazol-2-yl)propanamide

C12H12N2OS2 — CID 1252000

IUPAC3-phenylsulfanyl-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCSc1ccccc1)Nc1nccs1
InChIInChI=1S/C12H12N2OS2/c15-11(14-12-13-7-9-17-12)6-8-16-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H,13,14,15)
InChIKeyZITCBHLLULIFFC-UHFFFAOYSA-N
MW264.38 g/mol
LogP3.26
Rot. Bonds5

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

3-phenylsulfanyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 1252000) has the molecular formula C12H12N2OS2 and a molecular weight of 264.38 g/mol. Its IUPAC name is 3-phenylsulfanyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-phenylsulfanyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID1252000
Molecular FormulaC12H12N2OS2
Molecular Weight264.38 g/mol
Exact Mass264.04
IUPAC Name3-phenylsulfanyl-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCSc1ccccc1)Nc1nccs1
InChIInChI=1S/C12H12N2OS2/c15-11(14-12-13-7-9-17-12)6-8-16-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H,13,14,15)
InChIKeyZITCBHLLULIFFC-UHFFFAOYSA-N
XLogP3.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-phenylsulfanyl-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

2-Phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 562362
3-Phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 567867
4-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 3310551
2-[(2-aminophenyl)thio]-N-1,3-thiazol-2-ylacetamide
CID 859493
3-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2915589
2-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)acetamide
CID 2991996
3-Benzenesulfonyl-N-(5-nitro-thiazol-2-yl)-propionamide
CID 6493257
3-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 7254594
Acetamide, 2-(4-chlorobenzylsulfanyl)-N-thiazol-2-yl-
CID 709144
2-Phenylcarbamoylmethylsulfanyl-N-thiazol-2-yl-acetamide
CID 651375
3-phenyl-N-(1,3-thiazol-2-yl)acrylamide
CID 1555760
2-methyl-3-phenyl-N-1,3-thiazol-2-ylacrylamide
CID 2189305

Frequently Asked Questions

What is the IUPAC name of 3-phenylsulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-phenylsulfanyl-N-(1,3-thiazol-2-yl)propanamide (CID 1252000) is 3-phenylsulfanyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-phenylsulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-phenylsulfanyl-N-(1,3-thiazol-2-yl)propanamide is O=C(CCSc1ccccc1)Nc1nccs1.
What is the InChIKey of 3-phenylsulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is ZITCBHLLULIFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS2/c15-11(14-12-13-7-9-17-12)6-8-16-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H,13,14,15).
What are the key properties of 3-phenylsulfanyl-N-(1,3-thiazol-2-yl)propanamide?
3-phenylsulfanyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 264.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 1252000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).