6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

C20H14F3N3O3S — CID 42270099

IUPAC6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCOc1cccc(-c2cn3c(C(=O)Nc4ccc(OC(F)(F)F)cc4)csc3n2)c1
InChIInChI=1S/C20H14F3N3O3S/c1-28-15-4-2-3-12(9-15)16-10-26-17(11-30-19(26)25-16)18(27)24-13-5-7-14(8-6-13)29-20(21,22)23/h2-11H,1H3,(H,24,27)
InChIKeyZCAKHTBBLQDRMB-UHFFFAOYSA-N
MW433.41 g/mol
LogP5.22
Rot. Bonds5

About 6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42270099) has the molecular formula C20H14F3N3O3S and a molecular weight of 433.41 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42270099
Molecular FormulaC20H14F3N3O3S
Molecular Weight433.41 g/mol
Exact Mass433.07
IUPAC Name6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCOc1cccc(-c2cn3c(C(=O)Nc4ccc(OC(F)(F)F)cc4)csc3n2)c1
InChIInChI=1S/C20H14F3N3O3S/c1-28-15-4-2-3-12(9-15)16-10-26-17(11-30-19(26)25-16)18(27)24-13-5-7-14(8-6-13)29-20(21,22)23/h2-11H,1H3,(H,24,27)
InChIKeyZCAKHTBBLQDRMB-UHFFFAOYSA-N
XLogP5.22
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.41
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42270099) is 6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is COc1cccc(-c2cn3c(C(=O)Nc4ccc(OC(F)(F)F)cc4)csc3n2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is ZCAKHTBBLQDRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O3S/c1-28-15-4-2-3-12(9-15)16-10-26-17(11-30-19(26)25-16)18(27)24-13-5-7-14(8-6-13)29-20(21,22)23/h2-11H,1H3,(H,24,27).
What are the key properties of 6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 433.41 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42270099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).