1-[2-(1-methoxycycloheptyl)-1,3-thiazol-5-yl]ethanol

C13H21NO2S — CID 116775248

IUPAC1-[2-(1-methoxycycloheptyl)-1,3-thiazol-5-yl]ethanol
SMILESCOC1(c2ncc(C(C)O)s2)CCCCCC1
InChIInChI=1S/C13H21NO2S/c1-10(15)11-9-14-12(17-11)13(16-2)7-5-3-4-6-8-13/h9-10,15H,3-8H2,1-2H3
InChIKeySSZAULCKRKIRSI-UHFFFAOYSA-N
MW255.38 g/mol
LogP3.39
Rot. Bonds3

About 1-[2-(1-methoxycycloheptyl)-1,3-thiazol-5-yl]ethanol

1-[2-(1-methoxycycloheptyl)-1,3-thiazol-5-yl]ethanol (PubChem CID 116775248) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 1-[2-(1-methoxycycloheptyl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(1-methoxycycloheptyl)-1,3-thiazol-5-yl]ethanol
PubChem CID116775248
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name1-[2-(1-methoxycycloheptyl)-1,3-thiazol-5-yl]ethanol
SMILESCOC1(c2ncc(C(C)O)s2)CCCCCC1
InChIInChI=1S/C13H21NO2S/c1-10(15)11-9-14-12(17-11)13(16-2)7-5-3-4-6-8-13/h9-10,15H,3-8H2,1-2H3
InChIKeySSZAULCKRKIRSI-UHFFFAOYSA-N
XLogP3.39
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methoxycycloheptyl)-5-methyl-1,3-thiazole
CID 116782796
2-(1-methoxycyclohexyl)-1,3-thiazole-5-carboxylic acid
CID 116744720
1-[2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]ethanone
CID 116774174
1-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]ethanol
CID 116775247
5-(chloromethyl)-2-(1-methoxycycloheptyl)-1,3-thiazole
CID 116782463
1-[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]ethanone
CID 116727520
(1S)-1-[2-(1-methoxycycloheptyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431656
1-[2-(1-phenylcyclopropyl)-1,3-thiazol-5-yl]ethanamine
CID 63079340
N-[[2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116727622
(1R)-1-[2-(1-methoxycyclobutyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431417
4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)-1,3-thiazole
CID 116744684
1-[2-(1-methoxycycloheptyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364760

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxycycloheptyl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(1-methoxycycloheptyl)-1,3-thiazol-5-yl]ethanol (CID 116775248) is 1-[2-(1-methoxycycloheptyl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(1-methoxycycloheptyl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(1-methoxycycloheptyl)-1,3-thiazol-5-yl]ethanol is COC1(c2ncc(C(C)O)s2)CCCCCC1.
What is the InChIKey of 1-[2-(1-methoxycycloheptyl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is SSZAULCKRKIRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-10(15)11-9-14-12(17-11)13(16-2)7-5-3-4-6-8-13/h9-10,15H,3-8H2,1-2H3.
What are the key properties of 1-[2-(1-methoxycycloheptyl)-1,3-thiazol-5-yl]ethanol?
1-[2-(1-methoxycycloheptyl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 255.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxycycloheptyl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 116775248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).