4-(dimethoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole

C13H21NO2S — CID 66056536

IUPAC4-(dimethoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole
SMILESCOC(OC)c1csc(C2CCCC(C)C2)n1
InChIInChI=1S/C13H21NO2S/c1-9-5-4-6-10(7-9)12-14-11(8-17-12)13(15-2)16-3/h8-10,13H,4-7H2,1-3H3
InChIKeyWLZJQLIFDZWLOR-UHFFFAOYSA-N
MW255.38 g/mol
LogP3.73
Rot. Bonds4

About 4-(dimethoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole

4-(dimethoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole (PubChem CID 66056536) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole
PubChem CID66056536
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name4-(dimethoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole
SMILESCOC(OC)c1csc(C2CCCC(C)C2)n1
InChIInChI=1S/C13H21NO2S/c1-9-5-4-6-10(7-9)12-14-11(8-17-12)13(15-2)16-3/h8-10,13H,4-7H2,1-3H3
InChIKeyWLZJQLIFDZWLOR-UHFFFAOYSA-N
XLogP3.73
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole?
The IUPAC name of 4-(dimethoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole (CID 66056536) is 4-(dimethoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole.
What is the SMILES notation for 4-(dimethoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole?
The canonical SMILES for 4-(dimethoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole is COC(OC)c1csc(C2CCCC(C)C2)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole?
The InChIKey is WLZJQLIFDZWLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-9-5-4-6-10(7-9)12-14-11(8-17-12)13(15-2)16-3/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 4-(dimethoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole?
4-(dimethoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole has a molecular weight of 255.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole is sourced from PubChem (CID 66056536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).