N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C23H17F6N5OS — CID 147650852

IUPACN-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)Nc1cnn(C(C)c2ccc(C(F)(F)F)cc2C(F)(F)F)c1
InChIInChI=1S/C23H17F6N5OS/c1-12-19(36-21(32-12)18-5-3-4-8-30-18)20(35)33-15-10-31-34(11-15)13(2)16-7-6-14(22(24,25)26)9-17(16)23(27,28)29/h3-11,13H,1-2H3,(H,33,35)
InChIKeyGJLQCFDHGFBFPL-UHFFFAOYSA-N
MW525.48 g/mol
LogP6.61
Rot. Bonds5

About N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 147650852) has the molecular formula C23H17F6N5OS and a molecular weight of 525.48 g/mol. Its IUPAC name is N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID147650852
Molecular FormulaC23H17F6N5OS
Molecular Weight525.48 g/mol
Exact Mass525.11
IUPAC NameN-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)Nc1cnn(C(C)c2ccc(C(F)(F)F)cc2C(F)(F)F)c1
InChIInChI=1S/C23H17F6N5OS/c1-12-19(36-21(32-12)18-5-3-4-8-30-18)20(35)33-15-10-31-34(11-15)13(2)16-7-6-14(22(24,25)26)9-17(16)23(27,28)29/h3-11,13H,1-2H3,(H,33,35)
InChIKeyGJLQCFDHGFBFPL-UHFFFAOYSA-N
XLogP6.61
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.48
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 147607996
N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 147814729
N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyrimidin-2-yl-1,2-oxazole-3-carboxamide
CID 148576117
2-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)ethanone
CID 159666647
N-(3-chloro-4-fluorophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9255638
N-(4-cyanophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 17481163
N-(3-chlorophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138637
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 26737436
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55457394
4-methyl-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 29368838
4-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 30371650
N-(3-acetamido-4-methoxyphenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 33308450

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 147650852) is N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccn2)sc1C(=O)Nc1cnn(C(C)c2ccc(C(F)(F)F)cc2C(F)(F)F)c1.
What is the InChIKey of N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is GJLQCFDHGFBFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F6N5OS/c1-12-19(36-21(32-12)18-5-3-4-8-30-18)20(35)33-15-10-31-34(11-15)13(2)16-7-6-14(22(24,25)26)9-17(16)23(27,28)29/h3-11,13H,1-2H3,(H,33,35).
What are the key properties of N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 525.48 g/mol, XLogP of 6.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 147650852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).