N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide

C20H13ClF3N5OS — CID 55539008

IUPACN-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1)c1ccc(-n2cccn2)nc1
InChIInChI=1S/C20H13ClF3N5OS/c21-16-4-3-14(20(22,23)24)8-13(16)9-15-11-26-19(31-15)28-18(30)12-2-5-17(25-10-12)29-7-1-6-27-29/h1-8,10-11H,9H2,(H,26,28,30)
InChIKeyQHBSSEXMMPPCAE-UHFFFAOYSA-N
MW463.87 g/mol
LogP5.24
Rot. Bonds5

About N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide

N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide (PubChem CID 55539008) has the molecular formula C20H13ClF3N5OS and a molecular weight of 463.87 g/mol. Its IUPAC name is N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide
PubChem CID55539008
Molecular FormulaC20H13ClF3N5OS
Molecular Weight463.87 g/mol
Exact Mass463.05
IUPAC NameN-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1)c1ccc(-n2cccn2)nc1
InChIInChI=1S/C20H13ClF3N5OS/c21-16-4-3-14(20(22,23)24)8-13(16)9-15-11-26-19(31-15)28-18(30)12-2-5-17(25-10-12)29-7-1-6-27-29/h1-8,10-11H,9H2,(H,26,28,30)
InChIKeyQHBSSEXMMPPCAE-UHFFFAOYSA-N
XLogP5.24
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.87
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-pyrazol-1-ylpyridine-3-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-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 47009311
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 24666723
4-(imidazol-1-ylmethyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 55719248
N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 16561505
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 46511635
N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16600115
N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 55371704
N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 2231211
(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 18809082
N-(3-fluorophenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
CID 16654238
N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 3282520
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide
CID 16651562

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide (CID 55539008) is N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide is O=C(Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1)c1ccc(-n2cccn2)nc1.
What is the InChIKey of N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The InChIKey is QHBSSEXMMPPCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3N5OS/c21-16-4-3-14(20(22,23)24)8-13(16)9-15-11-26-19(31-15)28-18(30)12-2-5-17(25-10-12)29-7-1-6-27-29/h1-8,10-11H,9H2,(H,26,28,30).
What are the key properties of N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide?
N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide has a molecular weight of 463.87 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-6-pyrazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 55539008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).