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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Related Compounds

N-(3-methyl-1,3-thiazol-2-ylidene)pyridine-4-carboxamide
CID 31303207
4-ethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 38163110
N-(3-methyl-1,3-thiazol-2-ylidene)-1-oxidopyridin-1-ium-4-carboxamide
CID 38163154
4-(methylsulfonylmethyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 9101363
4-(difluoromethylsulfonyl)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 9119081
N-(3-methyl-1,3-thiazol-2-ylidene)-4-(pyrrolidin-1-ylmethyl)benzamide
CID 71899527
3-(dimethylamino)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 31289913
3,5-dimethoxy-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 38162531
N-(3-methyl-1,3-thiazol-2-ylidene)-1-benzothiophene-3-carboxamide
CID 24660492
4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)-3,5-dinitrobenzamide
CID 38163157
N-(3-methyl-1,3-thiazol-2-ylidene)-9,10,10-trioxothioxanthene-3-carboxamide
CID 4844639
4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-(propan-2-ylsulfamoyl)benzamide
CID 29473495

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).