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

C19H11ClF3N3OS — CID 134797818

IUPACN-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1nc2sccn2c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H11ClF3N3OS/c20-13-5-2-6-14(10-13)24-17(27)15-16(26-7-8-28-18(26)25-15)11-3-1-4-12(9-11)19(21,22)23/h1-10H,(H,24,27)
InChIKeyCCDXVSMWIKRGSJ-UHFFFAOYSA-N
MW421.83 g/mol
LogP5.99
Rot. Bonds3

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

N-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134797818) has the molecular formula C19H11ClF3N3OS and a molecular weight of 421.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134797818
Molecular FormulaC19H11ClF3N3OS
Molecular Weight421.83 g/mol
Exact Mass421.03
IUPAC NameN-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1nc2sccn2c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H11ClF3N3OS/c20-13-5-2-6-14(10-13)24-17(27)15-16(26-7-8-28-18(26)25-15)11-3-1-4-12(9-11)19(21,22)23/h1-10H,(H,24,27)
InChIKeyCCDXVSMWIKRGSJ-UHFFFAOYSA-N
XLogP5.99
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.83
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134800055
5-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134800035
5-(3-cyanophenyl)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798242
6-amino-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 62238899
4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26274156
5-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391456
chlorobenzene;[3-(trifluoromethyl)phenyl]carbamic acid
CID 174624155
5-chloro-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625234
2-methyl-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 43854625
6-(4-methylpiperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109095520
6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093750
3-chloro-5-thiophen-2-yl-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3108956

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134797818) is N-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is O=C(Nc1cccc(Cl)c1)c1nc2sccn2c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is CCDXVSMWIKRGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF3N3OS/c20-13-5-2-6-14(10-13)24-17(27)15-16(26-7-8-28-18(26)25-15)11-3-1-4-12(9-11)19(21,22)23/h1-10H,(H,24,27).
What are the key properties of N-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 421.83 g/mol, XLogP of 5.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134797818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).