cyclohexyl 2-phenyl-1,3-thiazole-4-carboxylate

C16H17NO2S — CID 60599245

IUPACcyclohexyl 2-phenyl-1,3-thiazole-4-carboxylate
SMILESO=C(OC1CCCCC1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C16H17NO2S/c18-16(19-13-9-5-2-6-10-13)14-11-20-15(17-14)12-7-3-1-4-8-12/h1,3-4,7-8,11,13H,2,5-6,9-10H2
InChIKeyCZSVILGYJLIRFR-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.30
Rot. Bonds3

About cyclohexyl 2-phenyl-1,3-thiazole-4-carboxylate

cyclohexyl 2-phenyl-1,3-thiazole-4-carboxylate (PubChem CID 60599245) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is cyclohexyl 2-phenyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namecyclohexyl 2-phenyl-1,3-thiazole-4-carboxylate
PubChem CID60599245
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Namecyclohexyl 2-phenyl-1,3-thiazole-4-carboxylate
SMILESO=C(OC1CCCCC1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C16H17NO2S/c18-16(19-13-9-5-2-6-10-13)14-11-20-15(17-14)12-7-3-1-4-8-12/h1,3-4,7-8,11,13H,2,5-6,9-10H2
InChIKeyCZSVILGYJLIRFR-UHFFFAOYSA-N
XLogP4.30
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-phenyl-1,3-thiazole-4-carboxylate?
The IUPAC name of cyclohexyl 2-phenyl-1,3-thiazole-4-carboxylate (CID 60599245) is cyclohexyl 2-phenyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for cyclohexyl 2-phenyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for cyclohexyl 2-phenyl-1,3-thiazole-4-carboxylate is O=C(OC1CCCCC1)c1csc(-c2ccccc2)n1.
What is the InChIKey of cyclohexyl 2-phenyl-1,3-thiazole-4-carboxylate?
The InChIKey is CZSVILGYJLIRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c18-16(19-13-9-5-2-6-10-13)14-11-20-15(17-14)12-7-3-1-4-8-12/h1,3-4,7-8,11,13H,2,5-6,9-10H2.
What are the key properties of cyclohexyl 2-phenyl-1,3-thiazole-4-carboxylate?
cyclohexyl 2-phenyl-1,3-thiazole-4-carboxylate has a molecular weight of 287.38 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-phenyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 60599245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).