3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-4-methoxybutan-1-ol

C12H22N2O2S — CID 103823079

IUPAC3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)NC(C)c1nc(C)sc1C
InChIInChI=1S/C12H22N2O2S/c1-8(12-9(2)17-10(3)14-12)13-11(5-6-15)7-16-4/h8,11,13,15H,5-7H2,1-4H3
InChIKeyQRXBMEBZPVZSPK-UHFFFAOYSA-N
MW258.39 g/mol
LogP1.81
Rot. Bonds7

About 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-4-methoxybutan-1-ol

3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-4-methoxybutan-1-ol (PubChem CID 103823079) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-4-methoxybutan-1-ol
PubChem CID103823079
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)NC(C)c1nc(C)sc1C
InChIInChI=1S/C12H22N2O2S/c1-8(12-9(2)17-10(3)14-12)13-11(5-6-15)7-16-4/h8,11,13,15H,5-7H2,1-4H3
InChIKeyQRXBMEBZPVZSPK-UHFFFAOYSA-N
XLogP1.81
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-4-methoxybutan-1-ol 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 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-4-methoxybutan-1-ol?
The IUPAC name of 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-4-methoxybutan-1-ol (CID 103823079) is 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-4-methoxybutan-1-ol.
What is the SMILES notation for 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-4-methoxybutan-1-ol?
The canonical SMILES for 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-4-methoxybutan-1-ol is COCC(CCO)NC(C)c1nc(C)sc1C.
What is the InChIKey of 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-4-methoxybutan-1-ol?
The InChIKey is QRXBMEBZPVZSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-8(12-9(2)17-10(3)14-12)13-11(5-6-15)7-16-4/h8,11,13,15H,5-7H2,1-4H3.
What are the key properties of 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-4-methoxybutan-1-ol?
3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-4-methoxybutan-1-ol has a molecular weight of 258.39 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-4-methoxybutan-1-ol is sourced from PubChem (CID 103823079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).