1-[2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-yl]ethanone

C13H19NO2S — CID 116774203

IUPAC1-[2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-yl]ethanone
SMILESCOC(c1nc(C(C)=O)cs1)C1CCCCC1
InChIInChI=1S/C13H19NO2S/c1-9(15)11-8-17-13(14-11)12(16-2)10-6-4-3-5-7-10/h8,10,12H,3-7H2,1-2H3
InChIKeyGZIAEJSIKAPJCQ-UHFFFAOYSA-N
MW253.37 g/mol
LogP3.61
Rot. Bonds4

About 1-[2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-yl]ethanone

1-[2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-yl]ethanone (PubChem CID 116774203) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-[2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-yl]ethanone
PubChem CID116774203
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name1-[2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-yl]ethanone
SMILESCOC(c1nc(C(C)=O)cs1)C1CCCCC1
InChIInChI=1S/C13H19NO2S/c1-9(15)11-8-17-13(14-11)12(16-2)10-6-4-3-5-7-10/h8,10,12H,3-7H2,1-2H3
InChIKeyGZIAEJSIKAPJCQ-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-ol
CID 130501377
methyl 2-[acetyloxy(cyclohexyl)methyl]-1,3-thiazole-4-carboxylate
CID 12991949
methyl 2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole-4-carboxylate
CID 116705184
1-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64544014
methyl 2-[cyano(cyclopentyl)methyl]-1,3-thiazole-4-carboxylate
CID 82931848
1-[2-[(R)-amino(phosphanyl)methyl]-1,3-thiazol-4-yl]ethanone
CID 146247305
1-(2-heptan-4-yl-1,3-thiazol-4-yl)ethanone
CID 71026114
2-[cyclopropyl(methoxy)methyl]-4-(methoxymethyl)-1,3-thiazole
CID 107511836
2-(1-aminoethyl)-N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide
CID 66390398
N-[[2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116727916
N-[[2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 116727926
2-[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 116744592

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-yl]ethanone (CID 116774203) is 1-[2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-yl]ethanone is COC(c1nc(C(C)=O)cs1)C1CCCCC1.
What is the InChIKey of 1-[2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-yl]ethanone?
The InChIKey is GZIAEJSIKAPJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-9(15)11-8-17-13(14-11)12(16-2)10-6-4-3-5-7-10/h8,10,12H,3-7H2,1-2H3.
What are the key properties of 1-[2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-yl]ethanone?
1-[2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-yl]ethanone has a molecular weight of 253.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclohexyl(methoxy)methyl]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 116774203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).