N-(3,5-difluoro-4-pyridinyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2H-1,3-thiazole-3-carboxamide

C14H10F5N5OS — CID 123566939

IUPACN-(3,5-difluoro-4-pyridinyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2H-1,3-thiazole-3-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C1=CN(C(=O)Nc2c(F)cncc2F)CS1
InChIInChI=1S/C14H10F5N5OS/c1-23-9(2-11(22-23)14(17,18)19)10-5-24(6-26-10)13(25)21-12-7(15)3-20-4-8(12)16/h2-5H,6H2,1H3,(H,20,21,25)
InChIKeyMGRABHJKTVDGKH-UHFFFAOYSA-N
MW391.33 g/mol
LogP3.65
Rot. Bonds2

About N-(3,5-difluoro-4-pyridinyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2H-1,3-thiazole-3-carboxamide

N-(3,5-difluoro-4-pyridinyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2H-1,3-thiazole-3-carboxamide (PubChem CID 123566939) has the molecular formula C14H10F5N5OS and a molecular weight of 391.33 g/mol. Its IUPAC name is N-(3,5-difluoro-4-pyridinyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2H-1,3-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-pyridinyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2H-1,3-thiazole-3-carboxamide
PubChem CID123566939
Molecular FormulaC14H10F5N5OS
Molecular Weight391.33 g/mol
Exact Mass391.05
IUPAC NameN-(3,5-difluoro-4-pyridinyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2H-1,3-thiazole-3-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C1=CN(C(=O)Nc2c(F)cncc2F)CS1
InChIInChI=1S/C14H10F5N5OS/c1-23-9(2-11(22-23)14(17,18)19)10-5-24(6-26-10)13(25)21-12-7(15)3-20-4-8(12)16/h2-5H,6H2,1H3,(H,20,21,25)
InChIKeyMGRABHJKTVDGKH-UHFFFAOYSA-N
XLogP3.65
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,5-difluoro-4-pyridinyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2H-1,3-thiazole-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

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-pyridinyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2H-1,3-thiazole-3-carboxamide?
The IUPAC name of N-(3,5-difluoro-4-pyridinyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2H-1,3-thiazole-3-carboxamide (CID 123566939) is N-(3,5-difluoro-4-pyridinyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2H-1,3-thiazole-3-carboxamide.
What is the SMILES notation for N-(3,5-difluoro-4-pyridinyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2H-1,3-thiazole-3-carboxamide?
The canonical SMILES for N-(3,5-difluoro-4-pyridinyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2H-1,3-thiazole-3-carboxamide is Cn1nc(C(F)(F)F)cc1C1=CN(C(=O)Nc2c(F)cncc2F)CS1.
What is the InChIKey of N-(3,5-difluoro-4-pyridinyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2H-1,3-thiazole-3-carboxamide?
The InChIKey is MGRABHJKTVDGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5N5OS/c1-23-9(2-11(22-23)14(17,18)19)10-5-24(6-26-10)13(25)21-12-7(15)3-20-4-8(12)16/h2-5H,6H2,1H3,(H,20,21,25).
What are the key properties of N-(3,5-difluoro-4-pyridinyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2H-1,3-thiazole-3-carboxamide?
N-(3,5-difluoro-4-pyridinyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2H-1,3-thiazole-3-carboxamide has a molecular weight of 391.33 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-pyridinyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2H-1,3-thiazole-3-carboxamide is sourced from PubChem (CID 123566939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).