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

C10H18N2O2S — CID 66168316

IUPAC2-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propane-1,2-diol
SMILESCc1nc(C(C)NCC(C)(O)CO)cs1
InChIInChI=1S/C10H18N2O2S/c1-7(9-4-15-8(2)12-9)11-5-10(3,14)6-13/h4,7,11,13-14H,5-6H2,1-3H3
InChIKeyNNOHGKAOWZCNQI-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.85
Rot. Bonds5

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

2-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propane-1,2-diol (PubChem CID 66168316) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propane-1,2-diol.

Molecular Properties

Compound Name2-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propane-1,2-diol
PubChem CID66168316
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name2-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propane-1,2-diol
SMILESCc1nc(C(C)NCC(C)(O)CO)cs1
InChIInChI=1S/C10H18N2O2S/c1-7(9-4-15-8(2)12-9)11-5-10(3,14)6-13/h4,7,11,13-14H,5-6H2,1-3H3
InChIKeyNNOHGKAOWZCNQI-UHFFFAOYSA-N
XLogP0.85
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4,4-dimethyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-2-ol
CID 103822917
[4-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol
CID 104579447
2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 115405653
2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol
CID 43670319
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine
CID 43670043
3-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]hexan-1-ol
CID 103822936
tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-2-yl]carbamate
CID 103901675
(2R)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-1-ol
CID 103922658
N-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43670306
N-(2-cyclohexylethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 54932016
2-methyl-3-(1-pyridin-4-ylethylamino)propane-1,2-diol
CID 66170728
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104585121

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propane-1,2-diol?
The IUPAC name of 2-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propane-1,2-diol (CID 66168316) is 2-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propane-1,2-diol.
What is the SMILES notation for 2-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propane-1,2-diol?
The canonical SMILES for 2-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propane-1,2-diol is Cc1nc(C(C)NCC(C)(O)CO)cs1.
What is the InChIKey of 2-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propane-1,2-diol?
The InChIKey is NNOHGKAOWZCNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-7(9-4-15-8(2)12-9)11-5-10(3,14)6-13/h4,7,11,13-14H,5-6H2,1-3H3.
What are the key properties of 2-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propane-1,2-diol?
2-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propane-1,2-diol has a molecular weight of 230.33 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propane-1,2-diol is sourced from PubChem (CID 66168316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).