2-tert-butyl-5-(4-methylcyclohexyl)-1,3-thiazole

C14H23NS — CID 59476442

IUPAC2-tert-butyl-5-(4-methylcyclohexyl)-1,3-thiazole
SMILESCC1CCC(c2cnc(C(C)(C)C)s2)CC1
InChIInChI=1S/C14H23NS/c1-10-5-7-11(8-6-10)12-9-15-13(16-12)14(2,3)4/h9-11H,5-8H2,1-4H3
InChIKeyNLBHDXWANLBRGQ-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.73
Rot. Bonds1

About 2-tert-butyl-5-(4-methylcyclohexyl)-1,3-thiazole

2-tert-butyl-5-(4-methylcyclohexyl)-1,3-thiazole (PubChem CID 59476442) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 2-tert-butyl-5-(4-methylcyclohexyl)-1,3-thiazole.

Molecular Properties

Compound Name2-tert-butyl-5-(4-methylcyclohexyl)-1,3-thiazole
PubChem CID59476442
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name2-tert-butyl-5-(4-methylcyclohexyl)-1,3-thiazole
SMILESCC1CCC(c2cnc(C(C)(C)C)s2)CC1
InChIInChI=1S/C14H23NS/c1-10-5-7-11(8-6-10)12-9-15-13(16-12)14(2,3)4/h9-11H,5-8H2,1-4H3
InChIKeyNLBHDXWANLBRGQ-UHFFFAOYSA-N
XLogP4.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(4-methylcyclohexyl)-1,3-thiazole?
The IUPAC name of 2-tert-butyl-5-(4-methylcyclohexyl)-1,3-thiazole (CID 59476442) is 2-tert-butyl-5-(4-methylcyclohexyl)-1,3-thiazole.
What is the SMILES notation for 2-tert-butyl-5-(4-methylcyclohexyl)-1,3-thiazole?
The canonical SMILES for 2-tert-butyl-5-(4-methylcyclohexyl)-1,3-thiazole is CC1CCC(c2cnc(C(C)(C)C)s2)CC1.
What is the InChIKey of 2-tert-butyl-5-(4-methylcyclohexyl)-1,3-thiazole?
The InChIKey is NLBHDXWANLBRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-10-5-7-11(8-6-10)12-9-15-13(16-12)14(2,3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 2-tert-butyl-5-(4-methylcyclohexyl)-1,3-thiazole?
2-tert-butyl-5-(4-methylcyclohexyl)-1,3-thiazole has a molecular weight of 237.41 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(4-methylcyclohexyl)-1,3-thiazole is sourced from PubChem (CID 59476442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).