4-[(S)-methylsulfinyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide

C12H12N2O2S2 — CID 95148026

IUPAC4-[(S)-methylsulfinyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCn1ccs/c1=N\C(=O)c1ccc([S@](C)=O)cc1
InChIInChI=1S/C12H12N2O2S2/c1-14-7-8-17-12(14)13-11(15)9-3-5-10(6-4-9)18(2)16/h3-8H,1-2H3/b13-12-/t18-/m0/s1
InChIKeyIJWKIALFNZCYAG-SQVRQVGWSA-N
MW280.37 g/mol
LogP1.57
Rot. Bonds2

About 4-[(S)-methylsulfinyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide

4-[(S)-methylsulfinyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (PubChem CID 95148026) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-[(S)-methylsulfinyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-[(S)-methylsulfinyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
PubChem CID95148026
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC Name4-[(S)-methylsulfinyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCn1ccs/c1=N\C(=O)c1ccc([S@](C)=O)cc1
InChIInChI=1S/C12H12N2O2S2/c1-14-7-8-17-12(14)13-11(15)9-3-5-10(6-4-9)18(2)16/h3-8H,1-2H3/b13-12-/t18-/m0/s1
InChIKeyIJWKIALFNZCYAG-SQVRQVGWSA-N
XLogP1.57
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(S)-methylsulfinyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The IUPAC name of 4-[(S)-methylsulfinyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (CID 95148026) is 4-[(S)-methylsulfinyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-[(S)-methylsulfinyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The canonical SMILES for 4-[(S)-methylsulfinyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is Cn1ccs/c1=N\C(=O)c1ccc([S@](C)=O)cc1.
What is the InChIKey of 4-[(S)-methylsulfinyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The InChIKey is IJWKIALFNZCYAG-SQVRQVGWSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c1-14-7-8-17-12(14)13-11(15)9-3-5-10(6-4-9)18(2)16/h3-8H,1-2H3/b13-12-/t18-/m0/s1.
What are the key properties of 4-[(S)-methylsulfinyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
4-[(S)-methylsulfinyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide has a molecular weight of 280.37 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-methylsulfinyl]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is sourced from PubChem (CID 95148026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).