1-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxopyridine-4-carboxamide

C15H13N3O4S2 — CID 55573922

IUPAC1-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1=O
InChIInChI=1S/C15H13N3O4S2/c1-18-6-5-9(7-13(18)19)14(20)17-15-16-11-4-3-10(24(2,21)22)8-12(11)23-15/h3-8H,1-2H3,(H,16,17,20)
InChIKeyJNAFGFIVPRMWSU-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.65
Rot. Bonds3

About 1-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxopyridine-4-carboxamide

1-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxopyridine-4-carboxamide (PubChem CID 55573922) has the molecular formula C15H13N3O4S2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxopyridine-4-carboxamide
PubChem CID55573922
Molecular FormulaC15H13N3O4S2
Molecular Weight363.42 g/mol
Exact Mass363.03
IUPAC Name1-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1=O
InChIInChI=1S/C15H13N3O4S2/c1-18-6-5-9(7-13(18)19)14(20)17-15-16-11-4-3-10(24(2,21)22)8-12(11)23-15/h3-8H,1-2H3,(H,16,17,20)
InChIKeyJNAFGFIVPRMWSU-UHFFFAOYSA-N
XLogP1.65
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-bromo-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 167861031
4-methylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 7565342
3-methylsulfonyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 7267158
4-(difluoromethyl)-3-fluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 167809196
3-ethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 2971147
4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 2334654
2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 18196513
2,3,4,5-tetrafluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 8013057
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-propoxybenzamide
CID 55765139
2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid
CID 2255145
4-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-piperidin-1-ylbenzamide
CID 110162762
4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2553186

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxopyridine-4-carboxamide?
The IUPAC name of 1-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxopyridine-4-carboxamide (CID 55573922) is 1-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxopyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxopyridine-4-carboxamide?
The canonical SMILES for 1-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1=O.
What is the InChIKey of 1-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxopyridine-4-carboxamide?
The InChIKey is JNAFGFIVPRMWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S2/c1-18-6-5-9(7-13(18)19)14(20)17-15-16-11-4-3-10(24(2,21)22)8-12(11)23-15/h3-8H,1-2H3,(H,16,17,20).
What are the key properties of 1-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxopyridine-4-carboxamide?
1-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxopyridine-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 55573922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).