cyclohexyl-phenyl-(1,3-thiazol-2-yl)methanol

C16H19NOS — CID 162419779

IUPACcyclohexyl-phenyl-(1,3-thiazol-2-yl)methanol
SMILESOC(c1ccccc1)(c1nccs1)C1CCCCC1
InChIInChI=1S/C16H19NOS/c18-16(15-17-11-12-19-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14,18H,2,5-6,9-10H2
InChIKeySEASQVMTRVWKNU-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.96
Rot. Bonds3

About cyclohexyl-phenyl-(1,3-thiazol-2-yl)methanol

cyclohexyl-phenyl-(1,3-thiazol-2-yl)methanol (PubChem CID 162419779) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is cyclohexyl-phenyl-(1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Namecyclohexyl-phenyl-(1,3-thiazol-2-yl)methanol
PubChem CID162419779
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Namecyclohexyl-phenyl-(1,3-thiazol-2-yl)methanol
SMILESOC(c1ccccc1)(c1nccs1)C1CCCCC1
InChIInChI=1S/C16H19NOS/c18-16(15-17-11-12-19-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14,18H,2,5-6,9-10H2
InChIKeySEASQVMTRVWKNU-UHFFFAOYSA-N
XLogP3.96
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-phenyl-(1,3-thiazol-2-yl)methanol?
The IUPAC name of cyclohexyl-phenyl-(1,3-thiazol-2-yl)methanol (CID 162419779) is cyclohexyl-phenyl-(1,3-thiazol-2-yl)methanol.
What is the SMILES notation for cyclohexyl-phenyl-(1,3-thiazol-2-yl)methanol?
The canonical SMILES for cyclohexyl-phenyl-(1,3-thiazol-2-yl)methanol is OC(c1ccccc1)(c1nccs1)C1CCCCC1.
What is the InChIKey of cyclohexyl-phenyl-(1,3-thiazol-2-yl)methanol?
The InChIKey is SEASQVMTRVWKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c18-16(15-17-11-12-19-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14,18H,2,5-6,9-10H2.
What are the key properties of cyclohexyl-phenyl-(1,3-thiazol-2-yl)methanol?
cyclohexyl-phenyl-(1,3-thiazol-2-yl)methanol has a molecular weight of 273.40 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-phenyl-(1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 162419779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).