N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

C17H12Cl2F2N4OS — CID 73265272

IUPACN-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ncc(-c2cc(C(F)F)nn2-c2c(Cl)cccc2Cl)s1)C1CC1
InChIInChI=1S/C17H12Cl2F2N4OS/c18-9-2-1-3-10(19)14(9)25-12(6-11(24-25)15(20)21)13-7-22-17(27-13)23-16(26)8-4-5-8/h1-3,6-8,15H,4-5H2,(H,22,23,26)
InChIKeyYBGGBHCJSAEIAS-UHFFFAOYSA-N
MW429.28 g/mol
LogP5.59
Rot. Bonds5

About N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide (PubChem CID 73265272) has the molecular formula C17H12Cl2F2N4OS and a molecular weight of 429.28 g/mol. Its IUPAC name is N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
PubChem CID73265272
Molecular FormulaC17H12Cl2F2N4OS
Molecular Weight429.28 g/mol
Exact Mass428.01
IUPAC NameN-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ncc(-c2cc(C(F)F)nn2-c2c(Cl)cccc2Cl)s1)C1CC1
InChIInChI=1S/C17H12Cl2F2N4OS/c18-9-2-1-3-10(19)14(9)25-12(6-11(24-25)15(20)21)13-7-22-17(27-13)23-16(26)8-4-5-8/h1-3,6-8,15H,4-5H2,(H,22,23,26)
InChIKeyYBGGBHCJSAEIAS-UHFFFAOYSA-N
XLogP5.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.28
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide 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

LIMKi3
CID 56965901
N-[5-[3-(difluoromethyl)-1-[4-(prop-2-enoylamino)phenyl]pyrazol-5-yl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 178321236
N-[5-[2-(2,6-dichlorophenyl)-5-(difluoromethyl)pyrazol-3-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide
CID 53339310
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(1H-pyrazol-1-yl)ethyl]cyclopropanecarboxamide
CID 30868374
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 52636237
N-[5-[3-(difluoromethyl)-1-[4-(prop-2-enoylamino)phenyl]pyrazol-5-yl]-1,3-thiazol-2-yl]-N,2-dimethylpropanamide
CID 178321234
1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 17424058
(S)-N-(5-(1-(2,6-dichlorophenyl)-3-(difluoromethyl)-1H-pyrazol-5-yl)thiazol-2-yl)-2-(pyrrolidin-2-yl)acetamide
CID 53303983
N-(5-(1-(2,6-Dichlorophenyl)-3-(difluoromethyl)-1H-pyrazol-5-yl)thiazol-2-yl)butyramide
CID 53339309
N-(5-(1-(2,6-Dichlorophenyl)-3-(difluoromethyl)-1H-pyrazol-5-yl)thiazol-2-yl)-4-(dimethylamino)butanamide
CID 53339311
4-chloro-N-[5-[2-ethyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazol-2-yl]benzamide
CID 56848191
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-(1,3-thiazol-2-yl)benzamide
CID 59631702

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide (CID 73265272) is N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide is O=C(Nc1ncc(-c2cc(C(F)F)nn2-c2c(Cl)cccc2Cl)s1)C1CC1.
What is the InChIKey of N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is YBGGBHCJSAEIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2F2N4OS/c18-9-2-1-3-10(19)14(9)25-12(6-11(24-25)15(20)21)13-7-22-17(27-13)23-16(26)8-4-5-8/h1-3,6-8,15H,4-5H2,(H,22,23,26).
What are the key properties of N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 429.28 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 73265272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).