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

C19H18F3N3OS — CID 134798164

IUPACN-cyclohexyl-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NC1CCCCC1)c1nc2sccn2c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H18F3N3OS/c20-19(21,22)13-8-6-12(7-9-13)16-15(24-18-25(16)10-11-27-18)17(26)23-14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H,23,26)
InChIKeyPRPGDIQYOPLKAL-UHFFFAOYSA-N
MW393.43 g/mol
LogP5.14
Rot. Bonds3

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

N-cyclohexyl-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134798164) has the molecular formula C19H18F3N3OS and a molecular weight of 393.43 g/mol. Its IUPAC name is N-cyclohexyl-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134798164
Molecular FormulaC19H18F3N3OS
Molecular Weight393.43 g/mol
Exact Mass393.11
IUPAC NameN-cyclohexyl-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NC1CCCCC1)c1nc2sccn2c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H18F3N3OS/c20-19(21,22)13-8-6-12(7-9-13)16-15(24-18-25(16)10-11-27-18)17(26)23-14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H,23,26)
InChIKeyPRPGDIQYOPLKAL-UHFFFAOYSA-N
XLogP5.14
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.43
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-cyclohexyl-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134798164) is N-cyclohexyl-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-cyclohexyl-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is O=C(NC1CCCCC1)c1nc2sccn2c1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-cyclohexyl-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is PRPGDIQYOPLKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3OS/c20-19(21,22)13-8-6-12(7-9-13)16-15(24-18-25(16)10-11-27-18)17(26)23-14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H,23,26).
What are the key properties of N-cyclohexyl-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-cyclohexyl-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 393.43 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134798164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).