5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(4-methylsulfinylphenyl)pyrazole-3-carboxamide

C24H19N5O2S2 — CID 138747832

IUPAC5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(4-methylsulfinylphenyl)pyrazole-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)Nc3ccc(S(C)=O)cc3)cc2-c2ccc3ncsc3c2)n1
InChIInChI=1S/C24H19N5O2S2/c1-15-4-3-5-23(26-15)29-21(16-6-11-19-22(12-16)32-14-25-19)13-20(28-29)24(30)27-17-7-9-18(10-8-17)33(2)31/h3-14H,1-2H3,(H,27,30)
InChIKeyHDYWWCCPHFOGHR-UHFFFAOYSA-N
MW473.58 g/mol
LogP4.84
Rot. Bonds5

About 5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(4-methylsulfinylphenyl)pyrazole-3-carboxamide

5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(4-methylsulfinylphenyl)pyrazole-3-carboxamide (PubChem CID 138747832) has the molecular formula C24H19N5O2S2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(4-methylsulfinylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(4-methylsulfinylphenyl)pyrazole-3-carboxamide
PubChem CID138747832
Molecular FormulaC24H19N5O2S2
Molecular Weight473.58 g/mol
Exact Mass473.10
IUPAC Name5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(4-methylsulfinylphenyl)pyrazole-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)Nc3ccc(S(C)=O)cc3)cc2-c2ccc3ncsc3c2)n1
InChIInChI=1S/C24H19N5O2S2/c1-15-4-3-5-23(26-15)29-21(16-6-11-19-22(12-16)32-14-25-19)13-20(28-29)24(30)27-17-7-9-18(10-8-17)33(2)31/h3-14H,1-2H3,(H,27,30)
InChIKeyHDYWWCCPHFOGHR-UHFFFAOYSA-N
XLogP4.84
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(1,3-benzothiazol-6-yl)-N-(4-ethoxyphenyl)-1-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 138748014
5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]pyrazole-3-carboxamide
CID 138748017
5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(4-phenylmethoxyphenyl)pyrazole-3-carboxamide
CID 138747859
5-(1,3-benzothiazol-6-yl)-N-[4-(cyclopropylmethoxy)phenyl]-1-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 138692441
5-(1,3-benzothiazol-6-yl)-N-(2-methoxy-4-pyridinyl)-1-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 138747879
5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(3-sulfamoylphenyl)pyrazole-3-carboxamide
CID 138692451
5-(1,3-benzothiazol-6-yl)-N-[4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide;sulfane
CID 158067423
2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]-N-(4-bromophenyl)acetamide
CID 138595022
2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]-N-(4-fluorophenyl)acetamide
CID 138595141
5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-[4-(methylsulfonimidoyl)phenyl]pyrazole-3-carboxamide;5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid;ethyl N-[[4-[[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazole-3-carbonyl]amino]phenyl]-methyl-oxo-λ6-sulfanylidene]carbamate
CID 158110864
2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]-N-[4-(hydroxymethyl)phenyl]acetamide
CID 138594676
2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]-N-(4-methoxyphenyl)acetamide
CID 138594615

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(4-methylsulfinylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(4-methylsulfinylphenyl)pyrazole-3-carboxamide (CID 138747832) is 5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(4-methylsulfinylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(4-methylsulfinylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(4-methylsulfinylphenyl)pyrazole-3-carboxamide is Cc1cccc(-n2nc(C(=O)Nc3ccc(S(C)=O)cc3)cc2-c2ccc3ncsc3c2)n1.
What is the InChIKey of 5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(4-methylsulfinylphenyl)pyrazole-3-carboxamide?
The InChIKey is HDYWWCCPHFOGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2S2/c1-15-4-3-5-23(26-15)29-21(16-6-11-19-22(12-16)32-14-25-19)13-20(28-29)24(30)27-17-7-9-18(10-8-17)33(2)31/h3-14H,1-2H3,(H,27,30).
What are the key properties of 5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(4-methylsulfinylphenyl)pyrazole-3-carboxamide?
5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(4-methylsulfinylphenyl)pyrazole-3-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)-N-(4-methylsulfinylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 138747832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).