5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-N'-phenyl-1H-pyrazole-3-carbohydrazide

C26H21N5OS — CID 162671499

IUPAC5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-N'-phenyl-1H-pyrazole-3-carbohydrazide
SMILESCc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1cc(C(=O)NNc2ccccc2)n[nH]1
InChIInChI=1S/C26H21N5OS/c1-17-24(22-16-23(30-29-22)25(32)31-28-21-10-6-3-7-11-21)33-26(27-17)20-14-12-19(13-15-20)18-8-4-2-5-9-18/h2-16,28H,1H3,(H,29,30)(H,31,32)
InChIKeyLKXKURFPTAWYEO-UHFFFAOYSA-N
MW451.56 g/mol
LogP5.93
Rot. Bonds6

About 5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-N'-phenyl-1H-pyrazole-3-carbohydrazide

5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-N'-phenyl-1H-pyrazole-3-carbohydrazide (PubChem CID 162671499) has the molecular formula C26H21N5OS and a molecular weight of 451.56 g/mol. Its IUPAC name is 5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-N'-phenyl-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-N'-phenyl-1H-pyrazole-3-carbohydrazide
PubChem CID162671499
Molecular FormulaC26H21N5OS
Molecular Weight451.56 g/mol
Exact Mass451.15
IUPAC Name5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-N'-phenyl-1H-pyrazole-3-carbohydrazide
SMILESCc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1cc(C(=O)NNc2ccccc2)n[nH]1
InChIInChI=1S/C26H21N5OS/c1-17-24(22-16-23(30-29-22)25(32)31-28-21-10-6-3-7-11-21)33-26(27-17)20-14-12-19(13-15-20)18-8-4-2-5-9-18/h2-16,28H,1H3,(H,29,30)(H,31,32)
InChIKeyLKXKURFPTAWYEO-UHFFFAOYSA-N
XLogP5.93
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.56
LogP ≤ 55.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[3-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-1H-indazole-6-carbonyl]phenyl]benzamide
CID 9869058
5-methyl-N-(3-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)phenyl)-2-phenylthiazole-4-carboxamide
CID 44571133
N-ethyl-5-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide
CID 46889199
5-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-1H-pyrazole-3-carboxamide
CID 46889216
[5-(2,4-Dimethyl-1,3-Thiazol-5-Yl)-1~{h}-Pyrazol-3-Yl]-(4-Phenylpiperazin-1-Yl)methanone
CID 30848794
(4-(2,5-dimethylphenyl)piperazin-1-yl)(3-(2-(4-fluorophenyl)-4-methylthiazol-5-yl)-1H-pyrazol-5-yl)methanone
CID 45498961
3-(4-fluorophenyl)-N-(2-methylbenzo[d]thiazol-6-yl)-1H-pyrazole-5-carboxamide
CID 45505442
(3,4-dihydroisoquinolin-2(1H)-yl)(3-(4-methyl-2-(m-tolyl)thiazol-5-yl)-1H-pyrazol-5-yl)methanone
CID 49658988
3-(4-fluorophenyl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-1H-pyrazole-5-carboxamide
CID 70753029
3-(2,4-difluorophenyl)-N-(2-(2-methylthiazol-4-yl)phenyl)-1H-pyrazole-5-carboxamide
CID 73168678
N-cyclohexyl-5-[4-methyl-2-[4-(4-methylphenyl)phenyl]-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
CID 162644035
N-(4-fluorophenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
CID 162644719

Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-N'-phenyl-1H-pyrazole-3-carbohydrazide?
The IUPAC name of 5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-N'-phenyl-1H-pyrazole-3-carbohydrazide (CID 162671499) is 5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-N'-phenyl-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for 5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-N'-phenyl-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for 5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-N'-phenyl-1H-pyrazole-3-carbohydrazide is Cc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1cc(C(=O)NNc2ccccc2)n[nH]1.
What is the InChIKey of 5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-N'-phenyl-1H-pyrazole-3-carbohydrazide?
The InChIKey is LKXKURFPTAWYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5OS/c1-17-24(22-16-23(30-29-22)25(32)31-28-21-10-6-3-7-11-21)33-26(27-17)20-14-12-19(13-15-20)18-8-4-2-5-9-18/h2-16,28H,1H3,(H,29,30)(H,31,32).
What are the key properties of 5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-N'-phenyl-1H-pyrazole-3-carbohydrazide?
5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-N'-phenyl-1H-pyrazole-3-carbohydrazide has a molecular weight of 451.56 g/mol, XLogP of 5.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-N'-phenyl-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 162671499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).