N-(6-chloro-1,3-benzothiazol-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

C16H10ClN5OS — CID 22576739

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C16H10ClN5OS/c17-10-1-2-11-14(7-10)24-16(19-11)20-15(23)13-8-12(21-22-13)9-3-5-18-6-4-9/h1-8H,(H,21,22)(H,19,20,23)
InChIKeySNJLUPOTYURWRD-UHFFFAOYSA-N
MW355.81 g/mol
LogP3.99
Rot. Bonds3

About N-(6-chloro-1,3-benzothiazol-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

N-(6-chloro-1,3-benzothiazol-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 22576739) has the molecular formula C16H10ClN5OS and a molecular weight of 355.81 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID22576739
Molecular FormulaC16H10ClN5OS
Molecular Weight355.81 g/mol
Exact Mass355.03
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C16H10ClN5OS/c17-10-1-2-11-14(7-10)24-16(19-11)20-15(23)13-8-12(21-22-13)9-3-5-18-6-4-9/h1-8H,(H,21,22)(H,19,20,23)
InChIKeySNJLUPOTYURWRD-UHFFFAOYSA-N
XLogP3.99
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.81
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
N-(6-chloro-1,3-benzothiazol-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832162
N-(5-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087364
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 5136272
N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3606712
N-(6-chloro-1,3-benzothiazol-2-yl)-4-hydrazinylpyridine-2-carboxamide
CID 62238142
3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 61091396
N-(2-chlorophenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53008238
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 4181016
N-(6-chloro-1,3-benzothiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108739115
N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylimidazole-2-carboxamide
CID 43952268

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (CID 22576739) is N-(6-chloro-1,3-benzothiazol-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is O=C(Nc1nc2ccc(Cl)cc2s1)c1cc(-c2ccncc2)n[nH]1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is SNJLUPOTYURWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN5OS/c17-10-1-2-11-14(7-10)24-16(19-11)20-15(23)13-8-12(21-22-13)9-3-5-18-6-4-9/h1-8H,(H,21,22)(H,19,20,23).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 355.81 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 22576739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).