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

C12H17NO2S — CID 116774174

IUPAC1-[2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]ethanone
SMILESCOC1(c2ncc(C(C)=O)s2)CCCCC1
InChIInChI=1S/C12H17NO2S/c1-9(14)10-8-13-11(16-10)12(15-2)6-4-3-5-7-12/h8H,3-7H2,1-2H3
InChIKeyQMTXATHSQFPZGQ-UHFFFAOYSA-N
MW239.34 g/mol
LogP3.15
Rot. Bonds3

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

1-[2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 116774174) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-[2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]ethanone
PubChem CID116774174
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name1-[2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]ethanone
SMILESCOC1(c2ncc(C(C)=O)s2)CCCCC1
InChIInChI=1S/C12H17NO2S/c1-9(14)10-8-13-11(16-10)12(15-2)6-4-3-5-7-12/h8H,3-7H2,1-2H3
InChIKeyQMTXATHSQFPZGQ-UHFFFAOYSA-N
XLogP3.15
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 53.15
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)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]ethanone (CID 116774174) is 1-[2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]ethanone is COC1(c2ncc(C(C)=O)s2)CCCCC1.
What is the InChIKey of 1-[2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is QMTXATHSQFPZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9(14)10-8-13-11(16-10)12(15-2)6-4-3-5-7-12/h8H,3-7H2,1-2H3.
What are the key properties of 1-[2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]ethanone?
1-[2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 239.34 g/mol, XLogP of 3.15, 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)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 116774174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).