2-methyl-2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]propane-1,3-diol

C10H18N2O2S — CID 75482678

IUPAC2-methyl-2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]propane-1,3-diol
SMILESCN(Cc1nccs1)CC(C)(CO)CO
InChIInChI=1S/C10H18N2O2S/c1-10(7-13,8-14)6-12(2)5-9-11-3-4-15-9/h3-4,13-14H,5-8H2,1-2H3
InChIKeyURAYKSPEFBPBHC-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.57
Rot. Bonds6

About 2-methyl-2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]propane-1,3-diol

2-methyl-2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]propane-1,3-diol (PubChem CID 75482678) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-methyl-2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-methyl-2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]propane-1,3-diol
PubChem CID75482678
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name2-methyl-2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]propane-1,3-diol
SMILESCN(Cc1nccs1)CC(C)(CO)CO
InChIInChI=1S/C10H18N2O2S/c1-10(7-13,8-14)6-12(2)5-9-11-3-4-15-9/h3-4,13-14H,5-8H2,1-2H3
InChIKeyURAYKSPEFBPBHC-UHFFFAOYSA-N
XLogP0.57
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(1,3-Thiazol-2-yl)propan-2-ylamino]propan-1-ol
CID 71986832
(2S)-1-[methyl(1,3-thiazol-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 164630506
1-(2-Ethyl-1,3-thiazol-3-ium-3-yl)propan-1-ol
CID 67203555
3-[1,3-Thiazol-2-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 112386534
2-[2-Methoxyethyl(1,3-thiazol-2-ylmethyl)amino]ethanol
CID 20696615
2-(Thiazol-2-yl)propan-1-ol
CID 22598007
2-Methyl-2-(1,3-thiazol-2-yl)propane-1,3-diol
CID 58513735
1-(2-Ethyl-1,3-thiazol-3-ium-3-yl)propan-1-ol bromide
CID 67203554
2-Ethyl-2-(1,3-thiazol-2-yl)propane-1,3-diol
CID 90147832
ethane;ethanol;N-methyl-1-(1,3-thiazol-2-yl)methanamine
CID 91094828
3-Ethyl-2-(2-hydroxyethyl)thiazol-3-ium bromide
CID 117822925
2-(1,3-Thiazol-2-yl)propane-1,1-diol
CID 143872729

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]propane-1,3-diol?
The IUPAC name of 2-methyl-2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]propane-1,3-diol (CID 75482678) is 2-methyl-2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]propane-1,3-diol.
What is the SMILES notation for 2-methyl-2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]propane-1,3-diol?
The canonical SMILES for 2-methyl-2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]propane-1,3-diol is CN(Cc1nccs1)CC(C)(CO)CO.
What is the InChIKey of 2-methyl-2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]propane-1,3-diol?
The InChIKey is URAYKSPEFBPBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-10(7-13,8-14)6-12(2)5-9-11-3-4-15-9/h3-4,13-14H,5-8H2,1-2H3.
What are the key properties of 2-methyl-2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]propane-1,3-diol?
2-methyl-2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]propane-1,3-diol has a molecular weight of 230.33 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]propane-1,3-diol is sourced from PubChem (CID 75482678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).