1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanol

C13H22N2OS — CID 64542379

IUPAC1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanol
SMILESCCC1CCCN(c2nc(C(C)O)cs2)CC1
InChIInChI=1S/C13H22N2OS/c1-3-11-5-4-7-15(8-6-11)13-14-12(9-17-13)10(2)16/h9-11,16H,3-8H2,1-2H3
InChIKeyOTOXTPBIHTVYOL-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.21
Rot. Bonds3

About 1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanol

1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanol (PubChem CID 64542379) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanol
PubChem CID64542379
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanol
SMILESCCC1CCCN(c2nc(C(C)O)cs2)CC1
InChIInChI=1S/C13H22N2OS/c1-3-11-5-4-7-15(8-6-11)13-14-12(9-17-13)10(2)16/h9-11,16H,3-8H2,1-2H3
InChIKeyOTOXTPBIHTVYOL-UHFFFAOYSA-N
XLogP3.21
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanol (CID 64542379) is 1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanol is CCC1CCCN(c2nc(C(C)O)cs2)CC1.
What is the InChIKey of 1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanol?
The InChIKey is OTOXTPBIHTVYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-3-11-5-4-7-15(8-6-11)13-14-12(9-17-13)10(2)16/h9-11,16H,3-8H2,1-2H3.
What are the key properties of 1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanol?
1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanol has a molecular weight of 254.40 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 64542379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).