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

C19H16N4O3S2 — CID 108791910

IUPAC5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cnn1-c1ccccc1
InChIInChI=1S/C19H16N4O3S2/c1-12-15(11-20-23(12)13-6-4-3-5-7-13)18(24)22-19-21-16-9-8-14(28(2,25)26)10-17(16)27-19/h3-11H,1-2H3,(H,21,22,24)
InChIKeyOEIHUQLBBDBBTP-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.45
Rot. Bonds4

About 5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide

5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 108791910) has the molecular formula C19H16N4O3S2 and a molecular weight of 412.50 g/mol. Its IUPAC name is 5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID108791910
Molecular FormulaC19H16N4O3S2
Molecular Weight412.50 g/mol
Exact Mass412.07
IUPAC Name5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cnn1-c1ccccc1
InChIInChI=1S/C19H16N4O3S2/c1-12-15(11-20-23(12)13-6-4-3-5-7-13)18(24)22-19-21-16-9-8-14(28(2,25)26)10-17(16)27-19/h3-11H,1-2H3,(H,21,22,24)
InChIKeyOEIHUQLBBDBBTP-UHFFFAOYSA-N
XLogP3.45
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 43952222
ethyl 5-methyl-1-[4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 55621907
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 43980540
2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid
CID 2255145
2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 18196513
5-methyl-1-(2-methylphenyl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
CID 55624760
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804234
N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108739126
2,3,4,5-tetrafluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 8013057
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3437220
N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39092966
5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 2971235

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide (CID 108791910) is 5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cnn1-c1ccccc1.
What is the InChIKey of 5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is OEIHUQLBBDBBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S2/c1-12-15(11-20-23(12)13-6-4-3-5-7-13)18(24)22-19-21-16-9-8-14(28(2,25)26)10-17(16)27-19/h3-11H,1-2H3,(H,21,22,24).
What are the key properties of 5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide?
5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 412.50 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 108791910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).