6-(4-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide

C22H18F3N3O3S — CID 121031572

IUPAC6-(4-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCOc1ccc(-c2cn3c(C)c(C(=O)Nc4cc(C(F)(F)F)ccc4OC)sc3n2)cc1
InChIInChI=1S/C22H18F3N3O3S/c1-12-19(20(29)26-16-10-14(22(23,24)25)6-9-18(16)31-3)32-21-27-17(11-28(12)21)13-4-7-15(30-2)8-5-13/h4-11H,1-3H3,(H,26,29)
InChIKeyGUAQUWHEVLAMRQ-UHFFFAOYSA-N
MW461.47 g/mol
LogP5.66
Rot. Bonds5

About 6-(4-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide

6-(4-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 121031572) has the molecular formula C22H18F3N3O3S and a molecular weight of 461.47 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID121031572
Molecular FormulaC22H18F3N3O3S
Molecular Weight461.47 g/mol
Exact Mass461.10
IUPAC Name6-(4-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCOc1ccc(-c2cn3c(C)c(C(=O)Nc4cc(C(F)(F)F)ccc4OC)sc3n2)cc1
InChIInChI=1S/C22H18F3N3O3S/c1-12-19(20(29)26-16-10-14(22(23,24)25)6-9-18(16)31-3)32-21-27-17(11-28(12)21)13-4-7-15(30-2)8-5-13/h4-11H,1-3H3,(H,26,29)
InChIKeyGUAQUWHEVLAMRQ-UHFFFAOYSA-N
XLogP5.66
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.47
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 20861750
N-(2,4-difluorophenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 20861749
N-(3-fluoro-4-methylphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41348922
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 6619638
6-(4-methoxyphenyl)-3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 121031651
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 121031637
6-(3,4-dimethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 92914193
N-(2,5-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 22578767
N-[(2,6-difluorophenyl)methyl]-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 121031608
N-(2-fluorophenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 20861701
N-(4-bromo-2-fluorophenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41348877
N-(2,3-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 27542845

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of 6-(4-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 121031572) is 6-(4-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for 6-(4-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for 6-(4-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide is COc1ccc(-c2cn3c(C)c(C(=O)Nc4cc(C(F)(F)F)ccc4OC)sc3n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is GUAQUWHEVLAMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O3S/c1-12-19(20(29)26-16-10-14(22(23,24)25)6-9-18(16)31-3)32-21-27-17(11-28(12)21)13-4-7-15(30-2)8-5-13/h4-11H,1-3H3,(H,26,29).
What are the key properties of 6-(4-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
6-(4-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 461.47 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 121031572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).