4-chloro-2-(3,5-dimethylcyclohexyl)oxy-1,3-thiazole

C11H16ClNOS — CID 83152627

IUPAC4-chloro-2-(3,5-dimethylcyclohexyl)oxy-1,3-thiazole
SMILESCC1CC(C)CC(Oc2nc(Cl)cs2)C1
InChIInChI=1S/C11H16ClNOS/c1-7-3-8(2)5-9(4-7)14-11-13-10(12)6-15-11/h6-9H,3-5H2,1-2H3
InChIKeyUQRZROHHAHRNHY-UHFFFAOYSA-N
MW245.77 g/mol
LogP4.00
Rot. Bonds2

About 4-chloro-2-(3,5-dimethylcyclohexyl)oxy-1,3-thiazole

4-chloro-2-(3,5-dimethylcyclohexyl)oxy-1,3-thiazole (PubChem CID 83152627) has the molecular formula C11H16ClNOS and a molecular weight of 245.77 g/mol. Its IUPAC name is 4-chloro-2-(3,5-dimethylcyclohexyl)oxy-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(3,5-dimethylcyclohexyl)oxy-1,3-thiazole
PubChem CID83152627
Molecular FormulaC11H16ClNOS
Molecular Weight245.77 g/mol
Exact Mass245.06
IUPAC Name4-chloro-2-(3,5-dimethylcyclohexyl)oxy-1,3-thiazole
SMILESCC1CC(C)CC(Oc2nc(Cl)cs2)C1
InChIInChI=1S/C11H16ClNOS/c1-7-3-8(2)5-9(4-7)14-11-13-10(12)6-15-11/h6-9H,3-5H2,1-2H3
InChIKeyUQRZROHHAHRNHY-UHFFFAOYSA-N
XLogP4.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.77
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,5-dimethylcyclohexyl)oxy-1,3-thiazole?
The IUPAC name of 4-chloro-2-(3,5-dimethylcyclohexyl)oxy-1,3-thiazole (CID 83152627) is 4-chloro-2-(3,5-dimethylcyclohexyl)oxy-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(3,5-dimethylcyclohexyl)oxy-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(3,5-dimethylcyclohexyl)oxy-1,3-thiazole is CC1CC(C)CC(Oc2nc(Cl)cs2)C1.
What is the InChIKey of 4-chloro-2-(3,5-dimethylcyclohexyl)oxy-1,3-thiazole?
The InChIKey is UQRZROHHAHRNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-7-3-8(2)5-9(4-7)14-11-13-10(12)6-15-11/h6-9H,3-5H2,1-2H3.
What are the key properties of 4-chloro-2-(3,5-dimethylcyclohexyl)oxy-1,3-thiazole?
4-chloro-2-(3,5-dimethylcyclohexyl)oxy-1,3-thiazole has a molecular weight of 245.77 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,5-dimethylcyclohexyl)oxy-1,3-thiazole is sourced from PubChem (CID 83152627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).