N-[(2-chlorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

C20H13ClF3N3OS — CID 134797001

IUPACN-[(2-chlorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1nc2sccn2c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H13ClF3N3OS/c21-15-7-2-1-4-13(15)11-25-18(28)16-17(27-8-9-29-19(27)26-16)12-5-3-6-14(10-12)20(22,23)24/h1-10H,11H2,(H,25,28)
InChIKeyHOKYUWGDOKGRBH-UHFFFAOYSA-N
MW435.86 g/mol
LogP5.66
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-[(2-chlorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134797001) has the molecular formula C20H13ClF3N3OS and a molecular weight of 435.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134797001
Molecular FormulaC20H13ClF3N3OS
Molecular Weight435.86 g/mol
Exact Mass435.04
IUPAC NameN-[(2-chlorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1nc2sccn2c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H13ClF3N3OS/c21-15-7-2-1-4-13(15)11-25-18(28)16-17(27-8-9-29-19(27)26-16)12-5-3-6-14(10-12)20(22,23)24/h1-10H,11H2,(H,25,28)
InChIKeyHOKYUWGDOKGRBH-UHFFFAOYSA-N
XLogP5.66
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.86
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-chlorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-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-chlorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134797001) is N-[(2-chlorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is O=C(NCc1ccccc1Cl)c1nc2sccn2c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is HOKYUWGDOKGRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3N3OS/c21-15-7-2-1-4-13(15)11-25-18(28)16-17(27-8-9-29-19(27)26-16)12-5-3-6-14(10-12)20(22,23)24/h1-10H,11H2,(H,25,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[(2-chlorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 435.86 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134797001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).