[2-(4,4-dimethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol

C15H26N2OS — CID 79400188

IUPAC[2-(4,4-dimethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCC(C)c1nc(N2CCCC(C)(C)CC2)sc1CO
InChIInChI=1S/C15H26N2OS/c1-11(2)13-12(10-18)19-14(16-13)17-8-5-6-15(3,4)7-9-17/h11,18H,5-10H2,1-4H3
InChIKeyAHHNSYIHEWYBGT-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.78
Rot. Bonds3

About [2-(4,4-dimethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol

[2-(4,4-dimethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol (PubChem CID 79400188) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is [2-(4,4-dimethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(4,4-dimethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
PubChem CID79400188
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name[2-(4,4-dimethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCC(C)c1nc(N2CCCC(C)(C)CC2)sc1CO
InChIInChI=1S/C15H26N2OS/c1-11(2)13-12(10-18)19-14(16-13)17-8-5-6-15(3,4)7-9-17/h11,18H,5-10H2,1-4H3
InChIKeyAHHNSYIHEWYBGT-UHFFFAOYSA-N
XLogP3.78
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(4,4-dimethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(4,4-dimethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(4,4-dimethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol (CID 79400188) is [2-(4,4-dimethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(4,4-dimethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(4,4-dimethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol is CC(C)c1nc(N2CCCC(C)(C)CC2)sc1CO.
What is the InChIKey of [2-(4,4-dimethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The InChIKey is AHHNSYIHEWYBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-11(2)13-12(10-18)19-14(16-13)17-8-5-6-15(3,4)7-9-17/h11,18H,5-10H2,1-4H3.
What are the key properties of [2-(4,4-dimethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
[2-(4,4-dimethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol has a molecular weight of 282.45 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,4-dimethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 79400188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).