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

C12H12N2OS2 — CID 24818362

IUPAC2-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCSc1ccccc1C(=O)/N=c1/sccn1C
InChIInChI=1S/C12H12N2OS2/c1-14-7-8-17-12(14)13-11(15)9-5-3-4-6-10(9)16-2/h3-8H,1-2H3/b13-12+
InChIKeyNKGVKTBIZBMRQL-OUKQBFOZSA-N
MW264.38 g/mol
LogP2.55
Rot. Bonds2

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

2-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (PubChem CID 24818362) has the molecular formula C12H12N2OS2 and a molecular weight of 264.38 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
PubChem CID24818362
Molecular FormulaC12H12N2OS2
Molecular Weight264.38 g/mol
Exact Mass264.04
IUPAC Name2-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCSc1ccccc1C(=O)/N=c1/sccn1C
InChIInChI=1S/C12H12N2OS2/c1-14-7-8-17-12(14)13-11(15)9-5-3-4-6-10(9)16-2/h3-8H,1-2H3/b13-12+
InChIKeyNKGVKTBIZBMRQL-OUKQBFOZSA-N
XLogP2.55
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The IUPAC name of 2-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (CID 24818362) is 2-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The canonical SMILES for 2-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is CSc1ccccc1C(=O)/N=c1/sccn1C.
What is the InChIKey of 2-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The InChIKey is NKGVKTBIZBMRQL-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H12N2OS2/c1-14-7-8-17-12(14)13-11(15)9-5-3-4-6-10(9)16-2/h3-8H,1-2H3/b13-12+.
What are the key properties of 2-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
2-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide has a molecular weight of 264.38 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is sourced from PubChem (CID 24818362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).