2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide

C25H22ClN5O2S — CID 87543850

IUPAC2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)sc1C(=O)NC1CCc2ccccc21
InChIInChI=1S/C25H22ClN5O2S/c1-14-20(22(26)31(30-14)17-9-4-3-5-10-17)23(32)29-25-27-15(2)21(34-25)24(33)28-19-13-12-16-8-6-7-11-18(16)19/h3-11,19H,12-13H2,1-2H3,(H,28,33)(H,27,29,32)
InChIKeyPYGWXQOXZCSDJB-UHFFFAOYSA-N
MW492.00 g/mol
LogP5.27
Rot. Bonds5

About 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide

2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 87543850) has the molecular formula C25H22ClN5O2S and a molecular weight of 492.00 g/mol. Its IUPAC name is 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID87543850
Molecular FormulaC25H22ClN5O2S
Molecular Weight492.00 g/mol
Exact Mass491.12
IUPAC Name2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)sc1C(=O)NC1CCc2ccccc21
InChIInChI=1S/C25H22ClN5O2S/c1-14-20(22(26)31(30-14)17-9-4-3-5-10-17)23(32)29-25-27-15(2)21(34-25)24(33)28-19-13-12-16-8-6-7-11-18(16)19/h3-11,19H,12-13H2,1-2H3,(H,28,33)(H,27,29,32)
InChIKeyPYGWXQOXZCSDJB-UHFFFAOYSA-N
XLogP5.27
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.00
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 87543958
N-(2,3-dihydro-1H-inden-1-yl)-2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 87544536
2-[(4-tert-butylbenzoyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 87544471
2-(cyclohexanecarbonylamino)-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 87544054
5-chloro-3-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-carboxamide
CID 18225928
N-(2,3-dihydro-1H-inden-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 18103852
1-benzyl-5-chloro-3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide
CID 2567145
3-methyl-1-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thieno[3,2-d]pyrazole-5-carboxamide
CID 2001164
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 41410768
5-chloro-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide
CID 29298840
3,6-dimethyl-1-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823024
5-chloro-3-methyl-N-[2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 56970701

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 87543850) is 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)sc1C(=O)NC1CCc2ccccc21.
What is the InChIKey of 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is PYGWXQOXZCSDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O2S/c1-14-20(22(26)31(30-14)17-9-4-3-5-10-17)23(32)29-25-27-15(2)21(34-25)24(33)28-19-13-12-16-8-6-7-11-18(16)19/h3-11,19H,12-13H2,1-2H3,(H,28,33)(H,27,29,32).
What are the key properties of 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 492.00 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 87543850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).