2-chloro-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,3-thiazole

C12H16ClNOS — CID 79764232

IUPAC2-chloro-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,3-thiazole
SMILESCC1CC=CCC1COCc1cnc(Cl)s1
InChIInChI=1S/C12H16ClNOS/c1-9-4-2-3-5-10(9)7-15-8-11-6-14-12(13)16-11/h2-3,6,9-10H,4-5,7-8H2,1H3
InChIKeyOUAAZNOLEGTESF-UHFFFAOYSA-N
MW257.79 g/mol
LogP3.92
Rot. Bonds4

About 2-chloro-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,3-thiazole

2-chloro-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,3-thiazole (PubChem CID 79764232) has the molecular formula C12H16ClNOS and a molecular weight of 257.79 g/mol. Its IUPAC name is 2-chloro-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,3-thiazole
PubChem CID79764232
Molecular FormulaC12H16ClNOS
Molecular Weight257.79 g/mol
Exact Mass257.06
IUPAC Name2-chloro-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,3-thiazole
SMILESCC1CC=CCC1COCc1cnc(Cl)s1
InChIInChI=1S/C12H16ClNOS/c1-9-4-2-3-5-10(9)7-15-8-11-6-14-12(13)16-11/h2-3,6,9-10H,4-5,7-8H2,1H3
InChIKeyOUAAZNOLEGTESF-UHFFFAOYSA-N
XLogP3.92
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-chloro-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,3-thiazole (CID 79764232) is 2-chloro-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,3-thiazole is CC1CC=CCC1COCc1cnc(Cl)s1.
What is the InChIKey of 2-chloro-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,3-thiazole?
The InChIKey is OUAAZNOLEGTESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNOS/c1-9-4-2-3-5-10(9)7-15-8-11-6-14-12(13)16-11/h2-3,6,9-10H,4-5,7-8H2,1H3.
What are the key properties of 2-chloro-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,3-thiazole?
2-chloro-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,3-thiazole has a molecular weight of 257.79 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,3-thiazole is sourced from PubChem (CID 79764232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).