6-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide

C14H12N4O4S2 — CID 121167400

IUPAC6-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)ncn1
InChIInChI=1S/C14H12N4O4S2/c1-22-12-6-10(15-7-16-12)13(19)18-14-17-9-4-3-8(24(2,20)21)5-11(9)23-14/h3-7H,1-2H3,(H,17,18,19)
InChIKeyIVHXMAHZTRSNPG-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.75
Rot. Bonds4

About 6-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide

6-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide (PubChem CID 121167400) has the molecular formula C14H12N4O4S2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 6-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide
PubChem CID121167400
Molecular FormulaC14H12N4O4S2
Molecular Weight364.41 g/mol
Exact Mass364.03
IUPAC Name6-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)ncn1
InChIInChI=1S/C14H12N4O4S2/c1-22-12-6-10(15-7-16-12)13(19)18-14-17-9-4-3-8(24(2,20)21)5-11(9)23-14/h3-7H,1-2H3,(H,17,18,19)
InChIKeyIVHXMAHZTRSNPG-UHFFFAOYSA-N
XLogP1.75
TPSA111.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-methoxy-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide
CID 121167413
5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 2971235
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiadiazole-4-carboxamide
CID 17012662
5-(4-methylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 17013473
4-methylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 7565342
2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 18196513
4-[(4-methoxyphenyl)sulfonylamino]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 121045218
2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid
CID 2255145
3-bromo-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 167861031
4-butoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 3591335
3-ethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 2971147
2,3,4,5-tetrafluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 8013057

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide (CID 121167400) is 6-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide is COc1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)ncn1.
What is the InChIKey of 6-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide?
The InChIKey is IVHXMAHZTRSNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O4S2/c1-22-12-6-10(15-7-16-12)13(19)18-14-17-9-4-3-8(24(2,20)21)5-11(9)23-14/h3-7H,1-2H3,(H,17,18,19).
What are the key properties of 6-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide?
6-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 121167400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).