N-[(4-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

C20H13F4N3OS — CID 134797588

IUPACN-[(4-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc2sccn2c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H13F4N3OS/c21-15-6-4-12(5-7-15)11-25-18(28)16-17(27-8-9-29-19(27)26-16)13-2-1-3-14(10-13)20(22,23)24/h1-10H,11H2,(H,25,28)
InChIKeyVYJSHRPZPFCGMB-UHFFFAOYSA-N
MW419.40 g/mol
LogP5.15
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-[(4-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134797588) has the molecular formula C20H13F4N3OS and a molecular weight of 419.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134797588
Molecular FormulaC20H13F4N3OS
Molecular Weight419.40 g/mol
Exact Mass419.07
IUPAC NameN-[(4-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc2sccn2c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H13F4N3OS/c21-15-6-4-12(5-7-15)11-25-18(28)16-17(27-8-9-29-19(27)26-16)13-2-1-3-14(10-13)20(22,23)24/h1-10H,11H2,(H,25,28)
InChIKeyVYJSHRPZPFCGMB-UHFFFAOYSA-N
XLogP5.15
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.40
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134797588) is N-[(4-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is O=C(NCc1ccc(F)cc1)c1nc2sccn2c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is VYJSHRPZPFCGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N3OS/c21-15-6-4-12(5-7-15)11-25-18(28)16-17(27-8-9-29-19(27)26-16)13-2-1-3-14(10-13)20(22,23)24/h1-10H,11H2,(H,25,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[(4-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 419.40 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134797588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).