2-methoxy-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide

C13H14N2O2S2 — CID 2558548

IUPAC2-methoxy-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1ncc(C)s1
InChIInChI=1S/C13H14N2O2S2/c1-8-7-14-13(19-8)15-12(16)10-5-4-9(18-3)6-11(10)17-2/h4-7H,1-3H3,(H,14,15,16)
InChIKeyUKQQOLFFTSVSNG-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.43
Rot. Bonds4

About 2-methoxy-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide

2-methoxy-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 2558548) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-methoxy-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID2558548
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC Name2-methoxy-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1ncc(C)s1
InChIInChI=1S/C13H14N2O2S2/c1-8-7-14-13(19-8)15-12(16)10-5-4-9(18-3)6-11(10)17-2/h4-7H,1-3H3,(H,14,15,16)
InChIKeyUKQQOLFFTSVSNG-UHFFFAOYSA-N
XLogP3.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.43
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-(5-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-methoxy-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide (CID 2558548) is 2-methoxy-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-methoxy-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-methoxy-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide is COc1cc(SC)ccc1C(=O)Nc1ncc(C)s1.
What is the InChIKey of 2-methoxy-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is UKQQOLFFTSVSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c1-8-7-14-13(19-8)15-12(16)10-5-4-9(18-3)6-11(10)17-2/h4-7H,1-3H3,(H,14,15,16).
What are the key properties of 2-methoxy-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
2-methoxy-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 294.40 g/mol, XLogP of 3.43, 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-(5-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2558548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).