6-(3,5-dimethylpyrazol-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide

C19H17N5O3S2 — CID 55645835

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)cn2)n1
InChIInChI=1S/C19H17N5O3S2/c1-11-8-12(2)24(23-11)17-7-4-13(10-20-17)18(25)22-19-21-15-6-5-14(29(3,26)27)9-16(15)28-19/h4-10H,1-3H3,(H,21,22,25)
InChIKeyWMPUILLPGSDIJT-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.15
Rot. Bonds4

About 6-(3,5-dimethylpyrazol-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide

6-(3,5-dimethylpyrazol-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide (PubChem CID 55645835) has the molecular formula C19H17N5O3S2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
PubChem CID55645835
Molecular FormulaC19H17N5O3S2
Molecular Weight427.51 g/mol
Exact Mass427.08
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)cn2)n1
InChIInChI=1S/C19H17N5O3S2/c1-11-8-12(2)24(23-11)17-7-4-13(10-20-17)18(25)22-19-21-15-6-5-14(29(3,26)27)9-16(15)28-19/h4-10H,1-3H3,(H,21,22,25)
InChIKeyWMPUILLPGSDIJT-UHFFFAOYSA-N
XLogP3.15
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(3,5-dimethylpyrazol-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

4-methylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 7565342
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 134046171
3-bromo-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 167861031
1-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-oxopyridine-4-carboxamide
CID 55573922
4-butoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 3591335
5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 2971235
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
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 30125170
ethyl 5-methyl-1-[4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 55621907
6-(3,5-dimethylpyrazol-1-yl)-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 166228864
4-(difluoromethyl)-3-fluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 167809196

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide (CID 55645835) is 6-(3,5-dimethylpyrazol-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)cn2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is WMPUILLPGSDIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S2/c1-11-8-12(2)24(23-11)17-7-4-13(10-20-17)18(25)22-19-21-15-6-5-14(29(3,26)27)9-16(15)28-19/h4-10H,1-3H3,(H,21,22,25).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
6-(3,5-dimethylpyrazol-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 55645835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).