2-[cyclohexyl(methoxy)methyl]-4-methyl-1,3-thiazole

C12H19NOS — CID 116782640

IUPAC2-[cyclohexyl(methoxy)methyl]-4-methyl-1,3-thiazole
SMILESCOC(c1nc(C)cs1)C1CCCCC1
InChIInChI=1S/C12H19NOS/c1-9-8-15-12(13-9)11(14-2)10-6-4-3-5-7-10/h8,10-11H,3-7H2,1-2H3
InChIKeyMVIZKEQRQAYAKT-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.72
Rot. Bonds3

About 2-[cyclohexyl(methoxy)methyl]-4-methyl-1,3-thiazole

2-[cyclohexyl(methoxy)methyl]-4-methyl-1,3-thiazole (PubChem CID 116782640) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-[cyclohexyl(methoxy)methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[cyclohexyl(methoxy)methyl]-4-methyl-1,3-thiazole
PubChem CID116782640
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-[cyclohexyl(methoxy)methyl]-4-methyl-1,3-thiazole
SMILESCOC(c1nc(C)cs1)C1CCCCC1
InChIInChI=1S/C12H19NOS/c1-9-8-15-12(13-9)11(14-2)10-6-4-3-5-7-10/h8,10-11H,3-7H2,1-2H3
InChIKeyMVIZKEQRQAYAKT-UHFFFAOYSA-N
XLogP3.72
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methoxy)methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[cyclohexyl(methoxy)methyl]-4-methyl-1,3-thiazole (CID 116782640) is 2-[cyclohexyl(methoxy)methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[cyclohexyl(methoxy)methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[cyclohexyl(methoxy)methyl]-4-methyl-1,3-thiazole is COC(c1nc(C)cs1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methoxy)methyl]-4-methyl-1,3-thiazole?
The InChIKey is MVIZKEQRQAYAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-9-8-15-12(13-9)11(14-2)10-6-4-3-5-7-10/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 2-[cyclohexyl(methoxy)methyl]-4-methyl-1,3-thiazole?
2-[cyclohexyl(methoxy)methyl]-4-methyl-1,3-thiazole has a molecular weight of 225.36 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methoxy)methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 116782640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).