3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propane-1,2-diol

C9H16N2O2S — CID 66168458

IUPAC3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propane-1,2-diol
SMILESCc1ncsc1CCNCC(O)CO
InChIInChI=1S/C9H16N2O2S/c1-7-9(14-6-11-7)2-3-10-4-8(13)5-12/h6,8,10,12-13H,2-5H2,1H3
InChIKeyBQVCEQOYLAQCOL-UHFFFAOYSA-N
MW216.31 g/mol
LogP-0.06
Rot. Bonds6

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

3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propane-1,2-diol (PubChem CID 66168458) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propane-1,2-diol
PubChem CID66168458
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propane-1,2-diol
SMILESCc1ncsc1CCNCC(O)CO
InChIInChI=1S/C9H16N2O2S/c1-7-9(14-6-11-7)2-3-10-4-8(13)5-12/h6,8,10,12-13H,2-5H2,1H3
InChIKeyBQVCEQOYLAQCOL-UHFFFAOYSA-N
XLogP-0.06
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 65035743
2-methyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentan-1-ol
CID 106160337
2-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]prop-2-en-1-amine
CID 114616804
1-[2-(3-hydroxypropylsulfanyl)ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 106310112
4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]butan-2-ol
CID 64911001
1-(2-methylpropylamino)-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 60635617
2-ethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hexan-1-amine
CID 114004588
1-(2,2-difluoroethylamino)-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 115406578
1-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65108787
2,2,3,3-tetrafluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 106291949
1-[2-(2-methylprop-2-enoxy)ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 114467258
1-[2-[methyl(propan-2-yl)amino]ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 62642692

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propane-1,2-diol?
The IUPAC name of 3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propane-1,2-diol (CID 66168458) is 3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propane-1,2-diol.
What is the SMILES notation for 3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propane-1,2-diol?
The canonical SMILES for 3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propane-1,2-diol is Cc1ncsc1CCNCC(O)CO.
What is the InChIKey of 3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propane-1,2-diol?
The InChIKey is BQVCEQOYLAQCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-7-9(14-6-11-7)2-3-10-4-8(13)5-12/h6,8,10,12-13H,2-5H2,1H3.
What are the key properties of 3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propane-1,2-diol?
3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propane-1,2-diol has a molecular weight of 216.31 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propane-1,2-diol is sourced from PubChem (CID 66168458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).