N-(1,3-benzothiazol-2-yl)-1,3,5-triphenylpyrazole-4-carboxamide

C29H20N4OS — CID 139231633

IUPACN-(1,3-benzothiazol-2-yl)-1,3,5-triphenylpyrazole-4-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C29H20N4OS/c34-28(31-29-30-23-18-10-11-19-24(23)35-29)25-26(20-12-4-1-5-13-20)32-33(22-16-8-3-9-17-22)27(25)21-14-6-2-7-15-21/h1-19H,(H,30,31,34)
InChIKeyGVEZIZWWFXCBMW-UHFFFAOYSA-N
MW472.57 g/mol
LogP7.07
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-1,3,5-triphenylpyrazole-4-carboxamide

N-(1,3-benzothiazol-2-yl)-1,3,5-triphenylpyrazole-4-carboxamide (PubChem CID 139231633) has the molecular formula C29H20N4OS and a molecular weight of 472.57 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1,3,5-triphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1,3,5-triphenylpyrazole-4-carboxamide
PubChem CID139231633
Molecular FormulaC29H20N4OS
Molecular Weight472.57 g/mol
Exact Mass472.14
IUPAC NameN-(1,3-benzothiazol-2-yl)-1,3,5-triphenylpyrazole-4-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C29H20N4OS/c34-28(31-29-30-23-18-10-11-19-24(23)35-29)25-26(20-12-4-1-5-13-20)32-33(22-16-8-3-9-17-22)27(25)21-14-6-2-7-15-21/h1-19H,(H,30,31,34)
InChIKeyGVEZIZWWFXCBMW-UHFFFAOYSA-N
XLogP7.07
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.57
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzoxazol-2-yl)-1,3,5-triphenylpyrazole-4-carboxamide
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N-(1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55752794
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N-(1,3-benzothiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide
CID 16952689
6-(1,3-benzothiazol-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 43558353
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(1,3-benzothiazol-2-yl)-1-methylpyrrole-2-carboxamide
CID 110467037
3-anilino-N-(1,3-benzothiazol-2-yl)-5-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-1H-pyrazole-4-carboxamide
CID 135908164
N-(1,3-benzothiazol-2-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 7080139
N-(1,3-benzothiazol-2-yl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 27895592
N-(1,3-benzothiazol-2-yl)-2-[2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 2158872
N-(6-chloro-1,3-benzothiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108739115

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1,3,5-triphenylpyrazole-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1,3,5-triphenylpyrazole-4-carboxamide (CID 139231633) is N-(1,3-benzothiazol-2-yl)-1,3,5-triphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1,3,5-triphenylpyrazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1,3,5-triphenylpyrazole-4-carboxamide is O=C(Nc1nc2ccccc2s1)c1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1,3,5-triphenylpyrazole-4-carboxamide?
The InChIKey is GVEZIZWWFXCBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N4OS/c34-28(31-29-30-23-18-10-11-19-24(23)35-29)25-26(20-12-4-1-5-13-20)32-33(22-16-8-3-9-17-22)27(25)21-14-6-2-7-15-21/h1-19H,(H,30,31,34).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1,3,5-triphenylpyrazole-4-carboxamide?
N-(1,3-benzothiazol-2-yl)-1,3,5-triphenylpyrazole-4-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 7.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-1,3,5-triphenylpyrazole-4-carboxamide is sourced from PubChem (CID 139231633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).