2-methoxy-4-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide

C12H12N2O2S2 — CID 669871

IUPAC2-methoxy-4-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1nccs1
InChIInChI=1S/C12H12N2O2S2/c1-16-10-7-8(17-2)3-4-9(10)11(15)14-12-13-5-6-18-12/h3-7H,1-2H3,(H,13,14,15)
InChIKeyQVJLITJPCCIDHA-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.13
Rot. Bonds4

About 2-methoxy-4-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide

2-methoxy-4-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 669871) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-methoxy-4-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-4-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID669871
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC Name2-methoxy-4-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1nccs1
InChIInChI=1S/C12H12N2O2S2/c1-16-10-7-8(17-2)3-4-9(10)11(15)14-12-13-5-6-18-12/h3-7H,1-2H3,(H,13,14,15)
InChIKeyQVJLITJPCCIDHA-UHFFFAOYSA-N
XLogP3.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-methoxy-4-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide (CID 669871) is 2-methoxy-4-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-methoxy-4-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-methoxy-4-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide is COc1cc(SC)ccc1C(=O)Nc1nccs1.
What is the InChIKey of 2-methoxy-4-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is QVJLITJPCCIDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c1-16-10-7-8(17-2)3-4-9(10)11(15)14-12-13-5-6-18-12/h3-7H,1-2H3,(H,13,14,15).
What are the key properties of 2-methoxy-4-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide?
2-methoxy-4-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 280.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methylsulfanyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 669871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).