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

C21H16F3N3O2S — CID 134795886

IUPAC2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOc1cccc(-c2cn3cc(C(=O)NCc4cccc(C(F)(F)F)c4)nc3s2)c1
InChIInChI=1S/C21H16F3N3O2S/c1-29-16-7-3-5-14(9-16)18-12-27-11-17(26-20(27)30-18)19(28)25-10-13-4-2-6-15(8-13)21(22,23)24/h2-9,11-12H,10H2,1H3,(H,25,28)
InChIKeyDGDIQJZRZSYUNZ-UHFFFAOYSA-N
MW431.44 g/mol
LogP5.02
Rot. Bonds5

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

2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134795886) has the molecular formula C21H16F3N3O2S and a molecular weight of 431.44 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134795886
Molecular FormulaC21H16F3N3O2S
Molecular Weight431.44 g/mol
Exact Mass431.09
IUPAC Name2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOc1cccc(-c2cn3cc(C(=O)NCc4cccc(C(F)(F)F)c4)nc3s2)c1
InChIInChI=1S/C21H16F3N3O2S/c1-29-16-7-3-5-14(9-16)18-12-27-11-17(26-20(27)30-18)19(28)25-10-13-4-2-6-15(8-13)21(22,23)24/h2-9,11-12H,10H2,1H3,(H,25,28)
InChIKeyDGDIQJZRZSYUNZ-UHFFFAOYSA-N
XLogP5.02
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.44
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134795886) is 2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is COc1cccc(-c2cn3cc(C(=O)NCc4cccc(C(F)(F)F)c4)nc3s2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is DGDIQJZRZSYUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2S/c1-29-16-7-3-5-14(9-16)18-12-27-11-17(26-20(27)30-18)19(28)25-10-13-4-2-6-15(8-13)21(22,23)24/h2-9,11-12H,10H2,1H3,(H,25,28).
What are the key properties of 2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 431.44 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134795886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).