1-[2-(azepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanol

C12H20N2OS — CID 62752785

IUPAC1-[2-(azepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(N2CCCCCC2)sc1C(C)O
InChIInChI=1S/C12H20N2OS/c1-9-11(10(2)15)16-12(13-9)14-7-5-3-4-6-8-14/h10,15H,3-8H2,1-2H3
InChIKeyCAJWOLIVUOAEJY-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.89
Rot. Bonds2

About 1-[2-(azepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanol

1-[2-(azepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanol (PubChem CID 62752785) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-[2-(azepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(azepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanol
PubChem CID62752785
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-[2-(azepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(N2CCCCCC2)sc1C(C)O
InChIInChI=1S/C12H20N2OS/c1-9-11(10(2)15)16-12(13-9)14-7-5-3-4-6-8-14/h10,15H,3-8H2,1-2H3
InChIKeyCAJWOLIVUOAEJY-UHFFFAOYSA-N
XLogP2.89
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(azepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(azepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanol (CID 62752785) is 1-[2-(azepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(azepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(azepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanol is Cc1nc(N2CCCCCC2)sc1C(C)O.
What is the InChIKey of 1-[2-(azepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanol?
The InChIKey is CAJWOLIVUOAEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9-11(10(2)15)16-12(13-9)14-7-5-3-4-6-8-14/h10,15H,3-8H2,1-2H3.
What are the key properties of 1-[2-(azepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanol?
1-[2-(azepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanol has a molecular weight of 240.37 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 62752785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).