N-[5-cyclohexyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide

C15H19F3N2OS — CID 164792358

IUPACN-[5-cyclohexyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
SMILESO=C(Nc1nc(C(F)(F)F)c(C2CCCCC2)s1)C1CCC1
InChIInChI=1S/C15H19F3N2OS/c16-15(17,18)12-11(9-5-2-1-3-6-9)22-14(19-12)20-13(21)10-7-4-8-10/h9-10H,1-8H2,(H,19,20,21)
InChIKeyVTAXEZRUPRVKJD-UHFFFAOYSA-N
MW332.39 g/mol
LogP4.95
Rot. Bonds3

About N-[5-cyclohexyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide

N-[5-cyclohexyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide (PubChem CID 164792358) has the molecular formula C15H19F3N2OS and a molecular weight of 332.39 g/mol. Its IUPAC name is N-[5-cyclohexyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-cyclohexyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
PubChem CID164792358
Molecular FormulaC15H19F3N2OS
Molecular Weight332.39 g/mol
Exact Mass332.12
IUPAC NameN-[5-cyclohexyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
SMILESO=C(Nc1nc(C(F)(F)F)c(C2CCCCC2)s1)C1CCC1
InChIInChI=1S/C15H19F3N2OS/c16-15(17,18)12-11(9-5-2-1-3-6-9)22-14(19-12)20-13(21)10-7-4-8-10/h9-10H,1-8H2,(H,19,20,21)
InChIKeyVTAXEZRUPRVKJD-UHFFFAOYSA-N
XLogP4.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyclohexyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[5-cyclohexyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide (CID 164792358) is N-[5-cyclohexyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-cyclohexyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-cyclohexyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide is O=C(Nc1nc(C(F)(F)F)c(C2CCCCC2)s1)C1CCC1.
What is the InChIKey of N-[5-cyclohexyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide?
The InChIKey is VTAXEZRUPRVKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2OS/c16-15(17,18)12-11(9-5-2-1-3-6-9)22-14(19-12)20-13(21)10-7-4-8-10/h9-10H,1-8H2,(H,19,20,21).
What are the key properties of N-[5-cyclohexyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide?
N-[5-cyclohexyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide has a molecular weight of 332.39 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyclohexyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 164792358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).