4-tert-butyl-2-cyclohexyl-1,3-thiazole

C13H21NS — CID 83382384

IUPAC4-tert-butyl-2-cyclohexyl-1,3-thiazole
SMILESCC(C)(C)c1csc(C2CCCCC2)n1
InChIInChI=1S/C13H21NS/c1-13(2,3)11-9-15-12(14-11)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3
InChIKeyXSHHTIPPJDOVNT-UHFFFAOYSA-N
MW223.38 g/mol
LogP4.49
Rot. Bonds1

About 4-tert-butyl-2-cyclohexyl-1,3-thiazole

4-tert-butyl-2-cyclohexyl-1,3-thiazole (PubChem CID 83382384) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 4-tert-butyl-2-cyclohexyl-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-cyclohexyl-1,3-thiazole
PubChem CID83382384
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name4-tert-butyl-2-cyclohexyl-1,3-thiazole
SMILESCC(C)(C)c1csc(C2CCCCC2)n1
InChIInChI=1S/C13H21NS/c1-13(2,3)11-9-15-12(14-11)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3
InChIKeyXSHHTIPPJDOVNT-UHFFFAOYSA-N
XLogP4.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-cyclohexyl-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-cyclohexyl-1,3-thiazole (CID 83382384) is 4-tert-butyl-2-cyclohexyl-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-cyclohexyl-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-cyclohexyl-1,3-thiazole is CC(C)(C)c1csc(C2CCCCC2)n1.
What is the InChIKey of 4-tert-butyl-2-cyclohexyl-1,3-thiazole?
The InChIKey is XSHHTIPPJDOVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-13(2,3)11-9-15-12(14-11)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-tert-butyl-2-cyclohexyl-1,3-thiazole?
4-tert-butyl-2-cyclohexyl-1,3-thiazole has a molecular weight of 223.38 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-cyclohexyl-1,3-thiazole is sourced from PubChem (CID 83382384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).