[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-pyridinyl]methanamine

C12H16N4S — CID 62895863

IUPAC[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-pyridinyl]methanamine
SMILESCN(Cc1cscn1)Cc1cccnc1CN
InChIInChI=1S/C12H16N4S/c1-16(7-11-8-17-9-15-11)6-10-3-2-4-14-12(10)5-13/h2-4,8-9H,5-7,13H2,1H3
InChIKeyGLWMIKCPOASLKU-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.63
Rot. Bonds5

About [3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-pyridinyl]methanamine

[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-pyridinyl]methanamine (PubChem CID 62895863) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is [3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-pyridinyl]methanamine
PubChem CID62895863
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-pyridinyl]methanamine
SMILESCN(Cc1cscn1)Cc1cccnc1CN
InChIInChI=1S/C12H16N4S/c1-16(7-11-8-17-9-15-11)6-10-3-2-4-14-12(10)5-13/h2-4,8-9H,5-7,13H2,1H3
InChIKeyGLWMIKCPOASLKU-UHFFFAOYSA-N
XLogP1.63
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
CID 55146900
3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 62921108
[3-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine
CID 62895513
[3-[(dimethylamino)methyl]-2-pyridinyl]methanamine
CID 62893638
3-[2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]prop-2-yn-1-amine
CID 55012118
[3-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine
CID 62894998
2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzonitrile
CID 47984172
2-[[2-(aminomethyl)-3-pyridinyl]methyl-methylamino]-N,N-diethylacetamide
CID 62893303
[3-[[(3-bromophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine
CID 62893469
[3-chloro-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]methanamine
CID 102662887
2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzenecarboximidamide
CID 55013685
[5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methanamine
CID 62428436

Frequently Asked Questions

What is the IUPAC name of [3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-pyridinyl]methanamine?
The IUPAC name of [3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-pyridinyl]methanamine (CID 62895863) is [3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-pyridinyl]methanamine is CN(Cc1cscn1)Cc1cccnc1CN.
What is the InChIKey of [3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-pyridinyl]methanamine?
The InChIKey is GLWMIKCPOASLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-16(7-11-8-17-9-15-11)6-10-3-2-4-14-12(10)5-13/h2-4,8-9H,5-7,13H2,1H3.
What are the key properties of [3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-pyridinyl]methanamine?
[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-pyridinyl]methanamine has a molecular weight of 248.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 62895863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).