1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol

C10H18N2OS — CID 104579913

IUPAC1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
SMILESCCC(O)CNC(C)c1scnc1C
InChIInChI=1S/C10H18N2OS/c1-4-9(13)5-11-7(2)10-8(3)12-6-14-10/h6-7,9,11,13H,4-5H2,1-3H3
InChIKeyARXYJSHYGWLKFZ-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.87
Rot. Bonds5

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

1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol (PubChem CID 104579913) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
PubChem CID104579913
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
SMILESCCC(O)CNC(C)c1scnc1C
InChIInChI=1S/C10H18N2OS/c1-4-9(13)5-11-7(2)10-8(3)12-6-14-10/h6-7,9,11,13H,4-5H2,1-3H3
InChIKeyARXYJSHYGWLKFZ-UHFFFAOYSA-N
XLogP1.87
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

2,3,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine
CID 81338939
2-methyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanenitrile
CID 62647813
1-methoxy-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
CID 115897163
2-methyl-2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]butan-1-ol
CID 115895184
N-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethanesulfonamide
CID 102676143
6-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]hexan-1-ol
CID 115906803
N'-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 62634392
N-(2-ethylsulfinylethyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 115718811
N-(cyclopentylmethyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 43775593
2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate
CID 83202234
3,3-dimethyl-4-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol
CID 115725802
1-(4-methyl-1,3-thiazol-5-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 63831687

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol?
The IUPAC name of 1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol (CID 104579913) is 1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol.
What is the SMILES notation for 1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol?
The canonical SMILES for 1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol is CCC(O)CNC(C)c1scnc1C.
What is the InChIKey of 1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol?
The InChIKey is ARXYJSHYGWLKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-4-9(13)5-11-7(2)10-8(3)12-6-14-10/h6-7,9,11,13H,4-5H2,1-3H3.
What are the key properties of 1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol?
1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol has a molecular weight of 214.33 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol is sourced from PubChem (CID 104579913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).