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

C20H13ClF3N3OS — CID 134796025

IUPACN-[(3-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1cn2cc(-c3cccc(C(F)(F)F)c3)sc2n1
InChIInChI=1S/C20H13ClF3N3OS/c21-15-6-1-3-12(7-15)9-25-18(28)16-10-27-11-17(29-19(27)26-16)13-4-2-5-14(8-13)20(22,23)24/h1-8,10-11H,9H2,(H,25,28)
InChIKeyPLVXQIYUYASRPA-UHFFFAOYSA-N
MW435.86 g/mol
LogP5.66
Rot. Bonds4

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

N-[(3-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134796025) has the molecular formula C20H13ClF3N3OS and a molecular weight of 435.86 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134796025
Molecular FormulaC20H13ClF3N3OS
Molecular Weight435.86 g/mol
Exact Mass435.04
IUPAC NameN-[(3-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1cn2cc(-c3cccc(C(F)(F)F)c3)sc2n1
InChIInChI=1S/C20H13ClF3N3OS/c21-15-6-1-3-12(7-15)9-25-18(28)16-10-27-11-17(29-19(27)26-16)13-4-2-5-14(8-13)20(22,23)24/h1-8,10-11H,9H2,(H,25,28)
InChIKeyPLVXQIYUYASRPA-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

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Related Compounds

2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796480
N-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134797239
2-[4-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799413
N-[(3-chlorophenyl)methyl]-2-phenylimidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799600
N-(pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798525
N-[(3,4-difluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798964
N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796721
N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799176
N-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799622
N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798652
7-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 24536944
N-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798391

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134796025) is N-[(3-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is O=C(NCc1cccc(Cl)c1)c1cn2cc(-c3cccc(C(F)(F)F)c3)sc2n1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is PLVXQIYUYASRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3N3OS/c21-15-6-1-3-12(7-15)9-25-18(28)16-10-27-11-17(29-19(27)26-16)13-4-2-5-14(8-13)20(22,23)24/h1-8,10-11H,9H2,(H,25,28).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[(3-chlorophenyl)methyl]-2-[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-[(3-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134796025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).