3-[(3-methylthiophen-2-yl)methyl-(pyridin-2-ylmethyl)amino]propane-1,2-diol

C15H20N2O2S — CID 46991839

IUPAC3-[(3-methylthiophen-2-yl)methyl-(pyridin-2-ylmethyl)amino]propane-1,2-diol
SMILESCc1ccsc1CN(Cc1ccccn1)CC(O)CO
InChIInChI=1S/C15H20N2O2S/c1-12-5-7-20-15(12)10-17(9-14(19)11-18)8-13-4-2-3-6-16-13/h2-7,14,18-19H,8-11H2,1H3
InChIKeyDKLGIMHIKALYKU-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.81
Rot. Bonds7

About 3-[(3-methylthiophen-2-yl)methyl-(pyridin-2-ylmethyl)amino]propane-1,2-diol

3-[(3-methylthiophen-2-yl)methyl-(pyridin-2-ylmethyl)amino]propane-1,2-diol (PubChem CID 46991839) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-[(3-methylthiophen-2-yl)methyl-(pyridin-2-ylmethyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(3-methylthiophen-2-yl)methyl-(pyridin-2-ylmethyl)amino]propane-1,2-diol
PubChem CID46991839
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name3-[(3-methylthiophen-2-yl)methyl-(pyridin-2-ylmethyl)amino]propane-1,2-diol
SMILESCc1ccsc1CN(Cc1ccccn1)CC(O)CO
InChIInChI=1S/C15H20N2O2S/c1-12-5-7-20-15(12)10-17(9-14(19)11-18)8-13-4-2-3-6-16-13/h2-7,14,18-19H,8-11H2,1H3
InChIKeyDKLGIMHIKALYKU-UHFFFAOYSA-N
XLogP1.81
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(Dimethylamino)propyl][(3-methyl(2-thienyl))methyl](2-pyridylmethyl)amine
CID 25910602
N-[(5-ethylpyridin-2-yl)methyl]-N',N'-dimethyl-N-[(5-methyl-2-thienyl)methyl]ethane-1,2-diamine
CID 46990554
N-[(3-methyl-2-thienyl)methyl]-3-(methylthio)-N-(pyridin-2-ylmethyl)butan-1-amine
CID 46986201
4,4,4-trifluoro-N-[(3-methyl-2-thienyl)methyl]-N-(pyridin-2-ylmethyl)butan-1-amine
CID 46986743
N,N-dimethyl-N'-[(3-methyl-2-thienyl)methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 46991953
(2-Methoxyethyl)[(3-methyl-2-thienyl)methyl](pyridin-2-ylmethyl)amine
CID 46996886
2-methyl-N-[(3-methyl-2-thienyl)methyl]-N-(pyridin-2-ylmethyl)propan-1-amine
CID 50971943
2-[Benzyl(pyridin-2-ylmethyl)amino]-1-thiophen-2-ylethanol
CID 71855576
N-methyl-2-morpholin-4-yl-N-(pyridin-4-ylmethyl)-2-thiophen-2-ylethanamine
CID 72126045
1-(3-Methyl-2-thienyl)-N-(2-pyridinylmethyl)methanamine
CID 4720495
N-methyl-2-pyridin-2-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 755653
[(2S)-1-methyl-5-[(5-methylthiophen-2-yl)methyl]-2,3,4,6-tetrahydropyrido[3,2-b][1,5]diazocin-2-yl]methanol
CID 75529325

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylthiophen-2-yl)methyl-(pyridin-2-ylmethyl)amino]propane-1,2-diol?
The IUPAC name of 3-[(3-methylthiophen-2-yl)methyl-(pyridin-2-ylmethyl)amino]propane-1,2-diol (CID 46991839) is 3-[(3-methylthiophen-2-yl)methyl-(pyridin-2-ylmethyl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(3-methylthiophen-2-yl)methyl-(pyridin-2-ylmethyl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(3-methylthiophen-2-yl)methyl-(pyridin-2-ylmethyl)amino]propane-1,2-diol is Cc1ccsc1CN(Cc1ccccn1)CC(O)CO.
What is the InChIKey of 3-[(3-methylthiophen-2-yl)methyl-(pyridin-2-ylmethyl)amino]propane-1,2-diol?
The InChIKey is DKLGIMHIKALYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-12-5-7-20-15(12)10-17(9-14(19)11-18)8-13-4-2-3-6-16-13/h2-7,14,18-19H,8-11H2,1H3.
What are the key properties of 3-[(3-methylthiophen-2-yl)methyl-(pyridin-2-ylmethyl)amino]propane-1,2-diol?
3-[(3-methylthiophen-2-yl)methyl-(pyridin-2-ylmethyl)amino]propane-1,2-diol has a molecular weight of 292.40 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylthiophen-2-yl)methyl-(pyridin-2-ylmethyl)amino]propane-1,2-diol is sourced from PubChem (CID 46991839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).