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

C13H22N2OS — CID 104692502

IUPAC1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol
SMILESCCC1CCCCCN1c1ncc(C(C)O)s1
InChIInChI=1S/C13H22N2OS/c1-3-11-7-5-4-6-8-15(11)13-14-9-12(17-13)10(2)16/h9-11,16H,3-8H2,1-2H3
InChIKeyGIBGCQCDYUAXRJ-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.36
Rot. Bonds3

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

1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol (PubChem CID 104692502) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol
PubChem CID104692502
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol
SMILESCCC1CCCCCN1c1ncc(C(C)O)s1
InChIInChI=1S/C13H22N2OS/c1-3-11-7-5-4-6-8-15(11)13-14-9-12(17-13)10(2)16/h9-11,16H,3-8H2,1-2H3
InChIKeyGIBGCQCDYUAXRJ-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
CID 104692480
2-(2-ethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62757973
1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]ethanamine
CID 55127959
N-[[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104692497
(1S)-1-[5-(2-ethylazepan-1-yl)-4-nitrothiophen-2-yl]ethanol
CID 104690595
2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62757598
(1R)-1-[5-(2-ethylpiperidin-1-yl)-4-nitrothiophen-2-yl]ethanol
CID 103941489
1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol
CID 115090753
1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazol-5-yl]ethanol
CID 115090612
(1R)-1-[2-(2-ethylazepan-1-yl)phenyl]ethanol
CID 104690574
[1-(5-amino-1,3-thiazol-2-yl)piperidin-2-yl]methanol
CID 102767808
[2-(2-ethylazepan-1-yl)pyrimidin-5-yl]methanamine
CID 104690773

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol (CID 104692502) is 1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol is CCC1CCCCCN1c1ncc(C(C)O)s1.
What is the InChIKey of 1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is GIBGCQCDYUAXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-3-11-7-5-4-6-8-15(11)13-14-9-12(17-13)10(2)16/h9-11,16H,3-8H2,1-2H3.
What are the key properties of 1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol?
1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 254.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 104692502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).