N-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine

C12H16N4S — CID 62282140

IUPACN-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
SMILESCNCc1cccnc1N(C)Cc1cscn1
InChIInChI=1S/C12H16N4S/c1-13-6-10-4-3-5-14-12(10)16(2)7-11-8-17-9-15-11/h3-5,8-9,13H,6-7H2,1-2H3
InChIKeyZJGLKIAOYWPSOB-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.89
Rot. Bonds5

About N-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine

N-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine (PubChem CID 62282140) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
PubChem CID62282140
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC NameN-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
SMILESCNCc1cccnc1N(C)Cc1cscn1
InChIInChI=1S/C12H16N4S/c1-13-6-10-4-3-5-14-12(10)16(2)7-11-8-17-9-15-11/h3-5,8-9,13H,6-7H2,1-2H3
InChIKeyZJGLKIAOYWPSOB-UHFFFAOYSA-N
XLogP1.89
TPSA41.05 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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-methyl-5-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 62282315
N-[(4-methoxyphenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine
CID 62294438
N-methyl-3-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62282278
N-methyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-2-amine
CID 62294745
N-methyl-3-(methylaminomethyl)-N-(2-methylbutyl)pyridin-2-amine
CID 62279569
3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 62921108
5-[methyl-[3-(methylaminomethyl)-2-pyridinyl]amino]pentan-1-ol
CID 114057130
[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-2-pyridinyl]methanamine
CID 62895863
N,2-dimethyl-4-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 55040318
N-methyl-3-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 62283788
3-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 62278909
N-methyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 62278910

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine?
The IUPAC name of N-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine (CID 62282140) is N-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine is CNCc1cccnc1N(C)Cc1cscn1.
What is the InChIKey of N-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine?
The InChIKey is ZJGLKIAOYWPSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-13-6-10-4-3-5-14-12(10)16(2)7-11-8-17-9-15-11/h3-5,8-9,13H,6-7H2,1-2H3.
What are the key properties of N-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine?
N-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine has a molecular weight of 248.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 62282140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).