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

C13H19NO2S — CID 116748212

IUPAC1-(1-methoxycyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCOC1(C(=O)Cc2nc(C)cs2)CCCCC1
InChIInChI=1S/C13H19NO2S/c1-10-9-17-12(14-10)8-11(15)13(16-2)6-4-3-5-7-13/h9H,3-8H2,1-2H3
InChIKeyMTTSVNCACVIVOW-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.91
Rot. Bonds4

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

1-(1-methoxycyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 116748212) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-(1-methoxycyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-methoxycyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID116748212
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name1-(1-methoxycyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCOC1(C(=O)Cc2nc(C)cs2)CCCCC1
InChIInChI=1S/C13H19NO2S/c1-10-9-17-12(14-10)8-11(15)13(16-2)6-4-3-5-7-13/h9H,3-8H2,1-2H3
InChIKeyMTTSVNCACVIVOW-UHFFFAOYSA-N
XLogP2.91
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethoxycycloheptyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116750853
1-(1-methylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 106829673
1-(1-ethylcyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115789251
1-(1-methoxycyclobutyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116706920
1-(1-ethoxy-4-methylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116749499
2-(3-chlorothiophen-2-yl)-1-(1-methoxycycloheptyl)ethanone
CID 112749502
1-[1-(aminomethyl)cyclohexyl]-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 116614454
2-(1,3-benzothiazol-2-yl)-1-(1-methoxycyclopentyl)ethanone
CID 104610095
1-(1-aminocyclobutyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 116591347
1-(2-amino-1-methylcyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116607345
2-(3-bromothiophen-2-yl)-1-(1-methoxycycloheptyl)ethanone
CID 116750399
1-(4-aminooxan-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116604713

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(1-methoxycyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone (CID 116748212) is 1-(1-methoxycyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(1-methoxycyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(1-methoxycyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone is COC1(C(=O)Cc2nc(C)cs2)CCCCC1.
What is the InChIKey of 1-(1-methoxycyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is MTTSVNCACVIVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10-9-17-12(14-10)8-11(15)13(16-2)6-4-3-5-7-13/h9H,3-8H2,1-2H3.
What are the key properties of 1-(1-methoxycyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
1-(1-methoxycyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 253.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 116748212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).