2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide

C12H12N2OS2 — CID 2532933

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide
SMILESCc1csc(SCC(=O)Nc2ccccc2)n1
InChIInChI=1S/C12H12N2OS2/c1-9-7-16-12(13-9)17-8-11(15)14-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,15)
InChIKeyQBWFREIGPBSGEW-UHFFFAOYSA-N
MW264.38 g/mol
LogP3.18
Rot. Bonds4

About 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide (PubChem CID 2532933) has the molecular formula C12H12N2OS2 and a molecular weight of 264.38 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide
PubChem CID2532933
Molecular FormulaC12H12N2OS2
Molecular Weight264.38 g/mol
Exact Mass264.04
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide
SMILESCc1csc(SCC(=O)Nc2ccccc2)n1
InChIInChI=1S/C12H12N2OS2/c1-9-7-16-12(13-9)17-8-11(15)14-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,15)
InChIKeyQBWFREIGPBSGEW-UHFFFAOYSA-N
XLogP3.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide (CID 2532933) is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide is Cc1csc(SCC(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is QBWFREIGPBSGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS2/c1-9-7-16-12(13-9)17-8-11(15)14-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,15).
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide?
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide has a molecular weight of 264.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 2532933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).