4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C12H12N2O3S2 — CID 2549893

IUPAC4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C12H12N2O3S2/c1-8-7-18-12(13-8)14-11(15)9-3-5-10(6-4-9)19(2,16)17/h3-7H,1-2H3,(H,13,14,15)
InChIKeyZQNBHCCCWOPFRJ-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.11
Rot. Bonds3

About 4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide

4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 2549893) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID2549893
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC Name4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C12H12N2O3S2/c1-8-7-18-12(13-8)14-11(15)9-3-5-10(6-4-9)19(2,16)17/h3-7H,1-2H3,(H,13,14,15)
InChIKeyZQNBHCCCWOPFRJ-UHFFFAOYSA-N
XLogP2.11
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-N-(4-phenyl-2-thiazolyl)benzamide
CID 577347
N-(4-Phenyl-thiazol-2-yl)-benzamide
CID 746475
N-(4-methylthiazol-2-yl)benzamide
CID 695178
T0400-1499
CID 1549394
3-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 899301
[2-(4-Fluoro-benzoylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 732361
N,N'-Bis(4-methyl-2-thiazolyl)-terephthalamide
CID 269341
N-[3-[(2-acetamidothiazol-4-yl)methyl]-5-sulfanyl-1,2,4-triazol-4-yl]benzamide
CID 16729259
N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide
CID 809483
Dodecanamide, N-(4-phenyl-2-thiazolyl)-
CID 3054676
Ptach
CID 11395181
3-cyano-5-fluoro-N-(4-methylthiazol-2-yl)benzamide
CID 46911384

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 2549893) is 4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of 4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is ZQNBHCCCWOPFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c1-8-7-18-12(13-8)14-11(15)9-3-5-10(6-4-9)19(2,16)17/h3-7H,1-2H3,(H,13,14,15).
What are the key properties of 4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 296.37 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2549893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).