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

C17H14Cl2F2N4OS — CID 53339309

IUPACN-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1ncc(-c2cc(C(F)F)nn2-c2c(Cl)cccc2Cl)s1
InChIInChI=1S/C17H14Cl2F2N4OS/c1-2-4-14(26)23-17-22-8-13(27-17)12-7-11(16(20)21)24-25(12)15-9(18)5-3-6-10(15)19/h3,5-8,16H,2,4H2,1H3,(H,22,23,26)
InChIKeyCCFSTFVPWWUOKP-UHFFFAOYSA-N
MW431.30 g/mol
LogP5.98
Rot. Bonds6

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

N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]butanamide (PubChem CID 53339309) has the molecular formula C17H14Cl2F2N4OS and a molecular weight of 431.30 g/mol. Its IUPAC name is N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]butanamide
PubChem CID53339309
Molecular FormulaC17H14Cl2F2N4OS
Molecular Weight431.30 g/mol
Exact Mass430.02
IUPAC NameN-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1ncc(-c2cc(C(F)F)nn2-c2c(Cl)cccc2Cl)s1
InChIInChI=1S/C17H14Cl2F2N4OS/c1-2-4-14(26)23-17-22-8-13(27-17)12-7-11(16(20)21)24-25(12)15-9(18)5-3-6-10(15)19/h3,5-8,16H,2,4H2,1H3,(H,22,23,26)
InChIKeyCCFSTFVPWWUOKP-UHFFFAOYSA-N
XLogP5.98
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 ≤ 55.98
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]butanamide 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
Bms-3
CID 73265272
2-chloro-N-[5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazol-2-yl]benzamide
CID 56848089
4-chloro-N-[5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazol-2-yl]benzamide
CID 56848136
(2-chlorophenyl)-N-{5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl](1,3-thiazol-2-yl)}carboxamide
CID 56848140
2-chloro-N-[5-[2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-1,3-thiazol-2-yl]benzamide
CID 56848192
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
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

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]butanamide?
The IUPAC name of N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]butanamide (CID 53339309) is N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]butanamide is CCCC(=O)Nc1ncc(-c2cc(C(F)F)nn2-c2c(Cl)cccc2Cl)s1.
What is the InChIKey of N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]butanamide?
The InChIKey is CCFSTFVPWWUOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F2N4OS/c1-2-4-14(26)23-17-22-8-13(27-17)12-7-11(16(20)21)24-25(12)15-9(18)5-3-6-10(15)19/h3,5-8,16H,2,4H2,1H3,(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]butanamide?
N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]butanamide has a molecular weight of 431.30 g/mol, XLogP of 5.98, 6 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]butanamide is sourced from PubChem (CID 53339309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).