3-[1-(1,3-thiazol-2-yl)ethylamino]propane-1,2-diol

C8H14N2O2S — CID 66174830

IUPAC3-[1-(1,3-thiazol-2-yl)ethylamino]propane-1,2-diol
SMILESCC(NCC(O)CO)c1nccs1
InChIInChI=1S/C8H14N2O2S/c1-6(8-9-2-3-13-8)10-4-7(12)5-11/h2-3,6-7,10-12H,4-5H2,1H3
InChIKeyBAXCLQGRCQBIDO-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.15
Rot. Bonds5

About 3-[1-(1,3-thiazol-2-yl)ethylamino]propane-1,2-diol

3-[1-(1,3-thiazol-2-yl)ethylamino]propane-1,2-diol (PubChem CID 66174830) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 3-[1-(1,3-thiazol-2-yl)ethylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[1-(1,3-thiazol-2-yl)ethylamino]propane-1,2-diol
PubChem CID66174830
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name3-[1-(1,3-thiazol-2-yl)ethylamino]propane-1,2-diol
SMILESCC(NCC(O)CO)c1nccs1
InChIInChI=1S/C8H14N2O2S/c1-6(8-9-2-3-13-8)10-4-7(12)5-11/h2-3,6-7,10-12H,4-5H2,1H3
InChIKeyBAXCLQGRCQBIDO-UHFFFAOYSA-N
XLogP0.15
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[1-(1,3-thiazol-2-yl)ethylamino]propane-1,2-diol 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

3-methyl-1-[1-(1,3-thiazol-2-yl)ethylamino]butan-2-ol
CID 115888511
2-hydroxy-3-[1-(1,3-thiazol-2-yl)ethylamino]propanamide
CID 106171868
(2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 114987181
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
2-amino-3-[1-(1,3-thiazol-2-yl)ethylamino]propanamide
CID 103253585
3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butan-1-ol
CID 79254662
2,2-difluoro-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 104860632
(2R)-2-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol
CID 96824361
(2R)-2-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol
CID 96824359
2-N,2-N,4-trimethyl-1-N-[1-(1,3-thiazol-2-yl)ethyl]pentane-1,2-diamine
CID 64993003
3-(1-thiophen-2-ylethylamino)propane-1,2-diol
CID 60908559
2-hydroxy-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 130693463

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,3-thiazol-2-yl)ethylamino]propane-1,2-diol?
The IUPAC name of 3-[1-(1,3-thiazol-2-yl)ethylamino]propane-1,2-diol (CID 66174830) is 3-[1-(1,3-thiazol-2-yl)ethylamino]propane-1,2-diol.
What is the SMILES notation for 3-[1-(1,3-thiazol-2-yl)ethylamino]propane-1,2-diol?
The canonical SMILES for 3-[1-(1,3-thiazol-2-yl)ethylamino]propane-1,2-diol is CC(NCC(O)CO)c1nccs1.
What is the InChIKey of 3-[1-(1,3-thiazol-2-yl)ethylamino]propane-1,2-diol?
The InChIKey is BAXCLQGRCQBIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-6(8-9-2-3-13-8)10-4-7(12)5-11/h2-3,6-7,10-12H,4-5H2,1H3.
What are the key properties of 3-[1-(1,3-thiazol-2-yl)ethylamino]propane-1,2-diol?
3-[1-(1,3-thiazol-2-yl)ethylamino]propane-1,2-diol has a molecular weight of 202.28 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,3-thiazol-2-yl)ethylamino]propane-1,2-diol is sourced from PubChem (CID 66174830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).