1-[2-(1-methoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanone

C13H19NO2S — CID 116774126

IUPAC1-[2-(1-methoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCOC1(c2nc(C)c(C(C)=O)s2)CCCCC1
InChIInChI=1S/C13H19NO2S/c1-9-11(10(2)15)17-12(14-9)13(16-3)7-5-4-6-8-13/h4-8H2,1-3H3
InChIKeySUCFNKKQLSJASD-UHFFFAOYSA-N
MW253.37 g/mol
LogP3.46
Rot. Bonds3

About 1-[2-(1-methoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanone

1-[2-(1-methoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 116774126) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-[2-(1-methoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-methoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID116774126
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name1-[2-(1-methoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCOC1(c2nc(C)c(C(C)=O)s2)CCCCC1
InChIInChI=1S/C13H19NO2S/c1-9-11(10(2)15)17-12(14-9)13(16-3)7-5-4-6-8-13/h4-8H2,1-3H3
InChIKeySUCFNKKQLSJASD-UHFFFAOYSA-N
XLogP3.46
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(1-methoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanone (CID 116774126) is 1-[2-(1-methoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(1-methoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(1-methoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanone is COC1(c2nc(C)c(C(C)=O)s2)CCCCC1.
What is the InChIKey of 1-[2-(1-methoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is SUCFNKKQLSJASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-9-11(10(2)15)17-12(14-9)13(16-3)7-5-4-6-8-13/h4-8H2,1-3H3.
What are the key properties of 1-[2-(1-methoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-(1-methoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 253.37 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxycyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 116774126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).