N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-4-(dimethylamino)butanamide

C19H19Cl2F2N5OS — CID 53339311

IUPACN-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-4-(dimethylamino)butanamide
SMILESCN(C)CCCC(=O)Nc1ncc(-c2cc(C(F)F)nn2-c2c(Cl)cccc2Cl)s1
InChIInChI=1S/C19H19Cl2F2N5OS/c1-27(2)8-4-7-16(29)25-19-24-10-15(30-19)14-9-13(18(22)23)26-28(14)17-11(20)5-3-6-12(17)21/h3,5-6,9-10,18H,4,7-8H2,1-2H3,(H,24,25,29)
InChIKeyCHXJVOYCRQYPLY-UHFFFAOYSA-N
MW474.36 g/mol
LogP5.52
Rot. Bonds8

About N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-4-(dimethylamino)butanamide

N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-4-(dimethylamino)butanamide (PubChem CID 53339311) has the molecular formula C19H19Cl2F2N5OS and a molecular weight of 474.36 g/mol. Its IUPAC name is N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-4-(dimethylamino)butanamide.

Molecular Properties

Compound NameN-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-4-(dimethylamino)butanamide
PubChem CID53339311
Molecular FormulaC19H19Cl2F2N5OS
Molecular Weight474.36 g/mol
Exact Mass473.07
IUPAC NameN-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-4-(dimethylamino)butanamide
SMILESCN(C)CCCC(=O)Nc1ncc(-c2cc(C(F)F)nn2-c2c(Cl)cccc2Cl)s1
InChIInChI=1S/C19H19Cl2F2N5OS/c1-27(2)8-4-7-16(29)25-19-24-10-15(30-19)14-9-13(18(22)23)26-28(14)17-11(20)5-3-6-12(17)21/h3,5-6,9-10,18H,4,7-8H2,1-2H3,(H,24,25,29)
InChIKeyCHXJVOYCRQYPLY-UHFFFAOYSA-N
XLogP5.52
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.36
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-4-(dimethylamino)butanamide 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-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-4-(dimethylamino)butanamide?
The IUPAC name of N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-4-(dimethylamino)butanamide (CID 53339311) is N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-4-(dimethylamino)butanamide.
What is the SMILES notation for N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-4-(dimethylamino)butanamide?
The canonical SMILES for N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-4-(dimethylamino)butanamide is CN(C)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]-4-(dimethylamino)butanamide?
The InChIKey is CHXJVOYCRQYPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2F2N5OS/c1-27(2)8-4-7-16(29)25-19-24-10-15(30-19)14-9-13(18(22)23)26-28(14)17-11(20)5-3-6-12(17)21/h3,5-6,9-10,18H,4,7-8H2,1-2H3,(H,24,25,29).
What are the key properties of N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-4-(dimethylamino)butanamide?
N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-4-(dimethylamino)butanamide has a molecular weight of 474.36 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 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]-4-(dimethylamino)butanamide is sourced from PubChem (CID 53339311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).