N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide

C17H10F5N7OS — CID 122638721

IUPACN-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cn(C(F)F)nc1-c1ccccn1)c1csc(-c2cn[nH]c2C(F)(F)F)n1
InChIInChI=1S/C17H10F5N7OS/c18-16(19)29-6-10(12(28-29)9-3-1-2-4-23-9)25-14(30)11-7-31-15(26-11)8-5-24-27-13(8)17(20,21)22/h1-7,16H,(H,24,27)(H,25,30)
InChIKeyNWQDIDWAUOYBIW-UHFFFAOYSA-N
MW455.37 g/mol
LogP4.46
Rot. Bonds5

About N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide

N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 122638721) has the molecular formula C17H10F5N7OS and a molecular weight of 455.37 g/mol. Its IUPAC name is N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID122638721
Molecular FormulaC17H10F5N7OS
Molecular Weight455.37 g/mol
Exact Mass455.06
IUPAC NameN-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cn(C(F)F)nc1-c1ccccn1)c1csc(-c2cn[nH]c2C(F)(F)F)n1
InChIInChI=1S/C17H10F5N7OS/c18-16(19)29-6-10(12(28-29)9-3-1-2-4-23-9)25-14(30)11-7-31-15(26-11)8-5-24-27-13(8)17(20,21)22/h1-7,16H,(H,24,27)(H,25,30)
InChIKeyNWQDIDWAUOYBIW-UHFFFAOYSA-N
XLogP4.46
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.37
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide (CID 122638721) is N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide is O=C(Nc1cn(C(F)F)nc1-c1ccccn1)c1csc(-c2cn[nH]c2C(F)(F)F)n1.
What is the InChIKey of N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is NWQDIDWAUOYBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F5N7OS/c18-16(19)29-6-10(12(28-29)9-3-1-2-4-23-9)25-14(30)11-7-31-15(26-11)8-5-24-27-13(8)17(20,21)22/h1-7,16H,(H,24,27)(H,25,30).
What are the key properties of N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 455.37 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 122638721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).