N-(2-cyclohexyl-4-phenyl-1,3-thiazol-5-yl)-2,2,2-trifluoroacetamide

C17H17F3N2OS — CID 86239633

IUPACN-(2-cyclohexyl-4-phenyl-1,3-thiazol-5-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1sc(C2CCCCC2)nc1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H17F3N2OS/c18-17(19,20)16(23)22-15-13(11-7-3-1-4-8-11)21-14(24-15)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,22,23)
InChIKeyZVMPTOVLYBQTIB-UHFFFAOYSA-N
MW354.40 g/mol
LogP5.36
Rot. Bonds3

About N-(2-cyclohexyl-4-phenyl-1,3-thiazol-5-yl)-2,2,2-trifluoroacetamide

N-(2-cyclohexyl-4-phenyl-1,3-thiazol-5-yl)-2,2,2-trifluoroacetamide (PubChem CID 86239633) has the molecular formula C17H17F3N2OS and a molecular weight of 354.40 g/mol. Its IUPAC name is N-(2-cyclohexyl-4-phenyl-1,3-thiazol-5-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-4-phenyl-1,3-thiazol-5-yl)-2,2,2-trifluoroacetamide
PubChem CID86239633
Molecular FormulaC17H17F3N2OS
Molecular Weight354.40 g/mol
Exact Mass354.10
IUPAC NameN-(2-cyclohexyl-4-phenyl-1,3-thiazol-5-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1sc(C2CCCCC2)nc1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H17F3N2OS/c18-17(19,20)16(23)22-15-13(11-7-3-1-4-8-11)21-14(24-15)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,22,23)
InChIKeyZVMPTOVLYBQTIB-UHFFFAOYSA-N
XLogP5.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.40
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-4-phenyl-1,3-thiazol-5-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-cyclohexyl-4-phenyl-1,3-thiazol-5-yl)-2,2,2-trifluoroacetamide (CID 86239633) is N-(2-cyclohexyl-4-phenyl-1,3-thiazol-5-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-cyclohexyl-4-phenyl-1,3-thiazol-5-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-cyclohexyl-4-phenyl-1,3-thiazol-5-yl)-2,2,2-trifluoroacetamide is O=C(Nc1sc(C2CCCCC2)nc1-c1ccccc1)C(F)(F)F.
What is the InChIKey of N-(2-cyclohexyl-4-phenyl-1,3-thiazol-5-yl)-2,2,2-trifluoroacetamide?
The InChIKey is ZVMPTOVLYBQTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2OS/c18-17(19,20)16(23)22-15-13(11-7-3-1-4-8-11)21-14(24-15)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,22,23).
What are the key properties of N-(2-cyclohexyl-4-phenyl-1,3-thiazol-5-yl)-2,2,2-trifluoroacetamide?
N-(2-cyclohexyl-4-phenyl-1,3-thiazol-5-yl)-2,2,2-trifluoroacetamide has a molecular weight of 354.40 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-4-phenyl-1,3-thiazol-5-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 86239633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).