N-[5-[2-(2,4-dichlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-carboxamide

C17H14Cl2F2N4OS — CID 155882963

IUPACN-[5-[2-(2,4-dichlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-carboxamide
SMILESCn1nc(C(F)F)c(NC(=O)c2nccs2)c1CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2F2N4OS/c1-25-12(5-3-9-2-4-10(18)8-11(9)19)13(14(24-25)15(20)21)23-16(26)17-22-6-7-27-17/h2,4,6-8,15H,3,5H2,1H3,(H,23,26)
InChIKeyINUFGZIJGWMVBJ-UHFFFAOYSA-N
MW431.30 g/mol
LogP5.16
Rot. Bonds6

About N-[5-[2-(2,4-dichlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-carboxamide

N-[5-[2-(2,4-dichlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-carboxamide (PubChem CID 155882963) has the molecular formula C17H14Cl2F2N4OS and a molecular weight of 431.30 g/mol. Its IUPAC name is N-[5-[2-(2,4-dichlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(2,4-dichlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-carboxamide
PubChem CID155882963
Molecular FormulaC17H14Cl2F2N4OS
Molecular Weight431.30 g/mol
Exact Mass430.02
IUPAC NameN-[5-[2-(2,4-dichlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-carboxamide
SMILESCn1nc(C(F)F)c(NC(=O)c2nccs2)c1CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2F2N4OS/c1-25-12(5-3-9-2-4-10(18)8-11(9)19)13(14(24-25)15(20)21)23-16(26)17-22-6-7-27-17/h2,4,6-8,15H,3,5H2,1H3,(H,23,26)
InChIKeyINUFGZIJGWMVBJ-UHFFFAOYSA-N
XLogP5.16
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.30
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-[2-(2,4-dichlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-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-[5-[2-(2,4-dichlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[5-[2-(2,4-dichlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-carboxamide (CID 155882963) is N-[5-[2-(2,4-dichlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[5-[2-(2,4-dichlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[5-[2-(2,4-dichlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-carboxamide is Cn1nc(C(F)F)c(NC(=O)c2nccs2)c1CCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[5-[2-(2,4-dichlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-carboxamide?
The InChIKey is INUFGZIJGWMVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F2N4OS/c1-25-12(5-3-9-2-4-10(18)8-11(9)19)13(14(24-25)15(20)21)23-16(26)17-22-6-7-27-17/h2,4,6-8,15H,3,5H2,1H3,(H,23,26).
What are the key properties of N-[5-[2-(2,4-dichlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-carboxamide?
N-[5-[2-(2,4-dichlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 431.30 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2,4-dichlorophenyl)ethyl]-3-(difluoromethyl)-1-methylpyrazol-4-yl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 155882963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).