N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

C24H15FN6OS — CID 108801132

IUPACN-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1c(C#N)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C24H15FN6OS/c1-14-21(33-24(28-14)16-6-9-18(25)10-7-16)23(32)30-22-17(12-26)13-27-31(22)20-11-8-15-4-2-3-5-19(15)29-20/h2-11,13H,1H3,(H,30,32)
InChIKeyGVCCOQZTTHTHPQ-UHFFFAOYSA-N
MW454.49 g/mol
LogP5.12
Rot. Bonds4

About N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 108801132) has the molecular formula C24H15FN6OS and a molecular weight of 454.49 g/mol. Its IUPAC name is N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID108801132
Molecular FormulaC24H15FN6OS
Molecular Weight454.49 g/mol
Exact Mass454.10
IUPAC NameN-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1c(C#N)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C24H15FN6OS/c1-14-21(33-24(28-14)16-6-9-18(25)10-7-16)23(32)30-22-17(12-26)13-27-31(22)20-11-8-15-4-2-3-5-19(15)29-20/h2-11,13H,1H3,(H,30,32)
InChIKeyGVCCOQZTTHTHPQ-UHFFFAOYSA-N
XLogP5.12
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.49
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2,5-difluorobenzamide
CID 108747313
ethyl N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)carbamate
CID 108747257
N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxyacetamide
CID 108747297
5-chloro-N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxybenzamide
CID 108769371
5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile
CID 108779168
2-(4-fluorophenyl)-4-methyl-N'-(2-methylbenzoyl)-1,3-thiazole-5-carbohydrazide
CID 46636454
2-(4-fluorophenyl)-4-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 30267798
N-[4-(carbamoylamino)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 33153477
2-(4-fluorophenyl)-N-(4-iodo-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788184
2-(4-fluorophenyl)-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 78823798
N-(2-ethoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 9192368
4-methyl-2-pyridin-3-yl-N-quinolin-2-yl-1,3-thiazole-5-carboxamide
CID 71111596

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 108801132) is N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1c(C#N)cnn1-c1ccc2ccccc2n1.
What is the InChIKey of N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is GVCCOQZTTHTHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN6OS/c1-14-21(33-24(28-14)16-6-9-18(25)10-7-16)23(32)30-22-17(12-26)13-27-31(22)20-11-8-15-4-2-3-5-19(15)29-20/h2-11,13H,1H3,(H,30,32).
What are the key properties of N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 454.49 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 108801132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).