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

C13H21NO3S — CID 116744684

IUPAC4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)-1,3-thiazole
SMILESCOC(OC)c1csc(C2(OC)CCCCC2)n1
InChIInChI=1S/C13H21NO3S/c1-15-11(16-2)10-9-18-12(14-10)13(17-3)7-5-4-6-8-13/h9,11H,4-8H2,1-3H3
InChIKeyUWVYTBYETWBQLO-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.24
Rot. Bonds5

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

4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)-1,3-thiazole (PubChem CID 116744684) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)-1,3-thiazole
PubChem CID116744684
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)-1,3-thiazole
SMILESCOC(OC)c1csc(C2(OC)CCCCC2)n1
InChIInChI=1S/C13H21NO3S/c1-15-11(16-2)10-9-18-12(14-10)13(17-3)7-5-4-6-8-13/h9,11H,4-8H2,1-3H3
InChIKeyUWVYTBYETWBQLO-UHFFFAOYSA-N
XLogP3.24
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(1-methoxycyclohexyl)-1,3-thiazole?
The IUPAC name of 4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)-1,3-thiazole (CID 116744684) is 4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)-1,3-thiazole.
What is the SMILES notation for 4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)-1,3-thiazole?
The canonical SMILES for 4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)-1,3-thiazole is COC(OC)c1csc(C2(OC)CCCCC2)n1.
What is the InChIKey of 4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)-1,3-thiazole?
The InChIKey is UWVYTBYETWBQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-15-11(16-2)10-9-18-12(14-10)13(17-3)7-5-4-6-8-13/h9,11H,4-8H2,1-3H3.
What are the key properties of 4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)-1,3-thiazole?
4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)-1,3-thiazole has a molecular weight of 271.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)-1,3-thiazole is sourced from PubChem (CID 116744684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).