2-cyclohexyl-1,3-thiazole

C9H13NS — CID 18334027

IUPAC2-cyclohexyl-1,3-thiazole
SMILESc1csc(C2CCCCC2)n1
InChIInChI=1S/C9H13NS/c1-2-4-8(5-3-1)9-10-6-7-11-9/h6-8H,1-5H2
InChIKeyWDMHRDAAJSPVMQ-UHFFFAOYSA-N
MW167.28 g/mol
LogP3.19
Rot. Bonds1

About 2-cyclohexyl-1,3-thiazole

2-cyclohexyl-1,3-thiazole (PubChem CID 18334027) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 2-cyclohexyl-1,3-thiazole.

Molecular Properties

Compound Name2-cyclohexyl-1,3-thiazole
PubChem CID18334027
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name2-cyclohexyl-1,3-thiazole
SMILESc1csc(C2CCCCC2)n1
InChIInChI=1S/C9H13NS/c1-2-4-8(5-3-1)9-10-6-7-11-9/h6-8H,1-5H2
InChIKeyWDMHRDAAJSPVMQ-UHFFFAOYSA-N
XLogP3.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1,3-thiazole?
The IUPAC name of 2-cyclohexyl-1,3-thiazole (CID 18334027) is 2-cyclohexyl-1,3-thiazole.
What is the SMILES notation for 2-cyclohexyl-1,3-thiazole?
The canonical SMILES for 2-cyclohexyl-1,3-thiazole is c1csc(C2CCCCC2)n1.
What is the InChIKey of 2-cyclohexyl-1,3-thiazole?
The InChIKey is WDMHRDAAJSPVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-2-4-8(5-3-1)9-10-6-7-11-9/h6-8H,1-5H2.
What are the key properties of 2-cyclohexyl-1,3-thiazole?
2-cyclohexyl-1,3-thiazole has a molecular weight of 167.28 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,3-thiazole is sourced from PubChem (CID 18334027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).