2-benzylsulfanyl-N-(1,3-thiazol-2-yl)acetamide

C12H12N2OS2 — CID 774489

IUPAC2-benzylsulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSCc1ccccc1)Nc1nccs1
InChIInChI=1S/C12H12N2OS2/c15-11(14-12-13-6-7-17-12)9-16-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,13,14,15)
InChIKeyMHJHNPCRJRMCLI-UHFFFAOYSA-N
MW264.38 g/mol
LogP3.02
Rot. Bonds5

About 2-benzylsulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-benzylsulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 774489) has the molecular formula C12H12N2OS2 and a molecular weight of 264.38 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID774489
Molecular FormulaC12H12N2OS2
Molecular Weight264.38 g/mol
Exact Mass264.04
IUPAC Name2-benzylsulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSCc1ccccc1)Nc1nccs1
InChIInChI=1S/C12H12N2OS2/c15-11(14-12-13-6-7-17-12)9-16-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,13,14,15)
InChIKeyMHJHNPCRJRMCLI-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 562362
1-Benzyl-3-thiazol-2-yl-thiourea
CID 700723
3-Phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 567867
LY-73497
CID 3001082
Thiourea, N-(2-(2,6-difluorophenyl)ethyl)-N'-2-thiazolyl-
CID 3001093
Thiourea, N-(2-(2-fluorophenyl)ethyl)-N'-2-thiazolyl-
CID 3001162
Thiourea, N-(2-(3-fluorophenyl)ethyl)-N'-2-thiazolyl-
CID 3001163
Thiourea, N-(2-(4-fluorophenyl)ethyl)-N'-2-thiazolyl-
CID 3001164
Thiourea, N-(2-(2-methylphenyl)ethyl)-N'-2-thiazolyl-
CID 3001167
4-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 3310551
2-(3-Cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydro-pyridin-2-ylsulfanyl)-N-thiazol-2-yl-acetamide
CID 567755
Propionamide, 2-(4-isobutylphenyl)-N-(2-thiazolyl)-
CID 3042319

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-benzylsulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 774489) is 2-benzylsulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-(1,3-thiazol-2-yl)acetamide is O=C(CSCc1ccccc1)Nc1nccs1.
What is the InChIKey of 2-benzylsulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is MHJHNPCRJRMCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS2/c15-11(14-12-13-6-7-17-12)9-16-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,13,14,15).
What are the key properties of 2-benzylsulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-benzylsulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 264.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 774489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).