N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

C20H18ClFN2O2S — CID 27448068

IUPACN-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)CCOc1ccccc1Cl
InChIInChI=1S/C20H18ClFN2O2S/c1-13-18(27-19(23-13)14-7-9-15(22)10-8-14)20(25)24(2)11-12-26-17-6-4-3-5-16(17)21/h3-10H,11-12H2,1-2H3
InChIKeyDTTHZMRUXPKJFY-UHFFFAOYSA-N
MW404.89 g/mol
LogP5.06
Rot. Bonds6

About N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 27448068) has the molecular formula C20H18ClFN2O2S and a molecular weight of 404.89 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID27448068
Molecular FormulaC20H18ClFN2O2S
Molecular Weight404.89 g/mol
Exact Mass404.08
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)CCOc1ccccc1Cl
InChIInChI=1S/C20H18ClFN2O2S/c1-13-18(27-19(23-13)14-7-9-15(22)10-8-14)20(25)24(2)11-12-26-17-6-4-3-5-16(17)21/h3-10H,11-12H2,1-2H3
InChIKeyDTTHZMRUXPKJFY-UHFFFAOYSA-N
XLogP5.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.89
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenyl)-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 N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 27448068) is N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)CCOc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is DTTHZMRUXPKJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O2S/c1-13-18(27-19(23-13)14-7-9-15(22)10-8-14)20(25)24(2)11-12-26-17-6-4-3-5-16(17)21/h3-10H,11-12H2,1-2H3.
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 404.89 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 27448068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).