2-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide

C19H23ClF3N3OS — CID 59338363

IUPAC2-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)CCN(C)C(=O)c1sc(-c2cc(C(F)(F)F)ccc2Cl)nc1C
InChIInChI=1S/C19H23ClF3N3OS/c1-5-26(6-2)10-9-25(4)18(27)16-12(3)24-17(28-16)14-11-13(19(21,22)23)7-8-15(14)20/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyFMUNAOYWVIZEPP-UHFFFAOYSA-N
MW433.93 g/mol
LogP5.20
Rot. Bonds7

About 2-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide

2-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 59338363) has the molecular formula C19H23ClF3N3OS and a molecular weight of 433.93 g/mol. Its IUPAC name is 2-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID59338363
Molecular FormulaC19H23ClF3N3OS
Molecular Weight433.93 g/mol
Exact Mass433.12
IUPAC Name2-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)CCN(C)C(=O)c1sc(-c2cc(C(F)(F)F)ccc2Cl)nc1C
InChIInChI=1S/C19H23ClF3N3OS/c1-5-26(6-2)10-9-25(4)18(27)16-12(3)24-17(28-16)14-11-13(19(21,22)23)7-8-15(14)20/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyFMUNAOYWVIZEPP-UHFFFAOYSA-N
XLogP5.20
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.93
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-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 2-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 59338363) is 2-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide is CCN(CC)CCN(C)C(=O)c1sc(-c2cc(C(F)(F)F)ccc2Cl)nc1C.
What is the InChIKey of 2-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is FMUNAOYWVIZEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClF3N3OS/c1-5-26(6-2)10-9-25(4)18(27)16-12(3)24-17(28-16)14-11-13(19(21,22)23)7-8-15(14)20/h7-8,11H,5-6,9-10H2,1-4H3.
What are the key properties of 2-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
2-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 433.93 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(diethylamino)ethyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59338363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).