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

C20H20F3N3OS — CID 134796973

IUPACN-cycloheptyl-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NC1CCCCCC1)c1nc2sccn2c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H20F3N3OS/c21-20(22,23)14-9-7-13(8-10-14)17-16(25-19-26(17)11-12-28-19)18(27)24-15-5-3-1-2-4-6-15/h7-12,15H,1-6H2,(H,24,27)
InChIKeyQMYRRIQVMBZIQJ-UHFFFAOYSA-N
MW407.46 g/mol
LogP5.53
Rot. Bonds3

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

N-cycloheptyl-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134796973) has the molecular formula C20H20F3N3OS and a molecular weight of 407.46 g/mol. Its IUPAC name is N-cycloheptyl-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134796973
Molecular FormulaC20H20F3N3OS
Molecular Weight407.46 g/mol
Exact Mass407.13
IUPAC NameN-cycloheptyl-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NC1CCCCCC1)c1nc2sccn2c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H20F3N3OS/c21-20(22,23)14-9-7-13(8-10-14)17-16(25-19-26(17)11-12-28-19)18(27)24-15-5-3-1-2-4-6-15/h7-12,15H,1-6H2,(H,24,27)
InChIKeyQMYRRIQVMBZIQJ-UHFFFAOYSA-N
XLogP5.53
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.46
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-cycloheptyl-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134796973) is N-cycloheptyl-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-cycloheptyl-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is O=C(NC1CCCCCC1)c1nc2sccn2c1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-cycloheptyl-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is QMYRRIQVMBZIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3OS/c21-20(22,23)14-9-7-13(8-10-14)17-16(25-19-26(17)11-12-28-19)18(27)24-15-5-3-1-2-4-6-15/h7-12,15H,1-6H2,(H,24,27).
What are the key properties of N-cycloheptyl-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-cycloheptyl-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 407.46 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134796973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).