2-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide

C12H12N2OS2 — CID 2673038

IUPAC2-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCSc1ccccc1C(=O)Nc1ncc(C)s1
InChIInChI=1S/C12H12N2OS2/c1-8-7-13-12(17-8)14-11(15)9-5-3-4-6-10(9)16-2/h3-7H,1-2H3,(H,13,14,15)
InChIKeyJJUWBSZNOLMNHP-UHFFFAOYSA-N
MW264.38 g/mol
LogP3.43
Rot. Bonds3

About 2-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide

2-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 2673038) has the molecular formula C12H12N2OS2 and a molecular weight of 264.38 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID2673038
Molecular FormulaC12H12N2OS2
Molecular Weight264.38 g/mol
Exact Mass264.04
IUPAC Name2-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCSc1ccccc1C(=O)Nc1ncc(C)s1
InChIInChI=1S/C12H12N2OS2/c1-8-7-13-12(17-8)14-11(15)9-5-3-4-6-10(9)16-2/h3-7H,1-2H3,(H,13,14,15)
InChIKeyJJUWBSZNOLMNHP-UHFFFAOYSA-N
XLogP3.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide (CID 2673038) is 2-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide is CSc1ccccc1C(=O)Nc1ncc(C)s1.
What is the InChIKey of 2-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is JJUWBSZNOLMNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS2/c1-8-7-13-12(17-8)14-11(15)9-5-3-4-6-10(9)16-2/h3-7H,1-2H3,(H,13,14,15).
What are the key properties of 2-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
2-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 264.38 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2673038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).