4-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine

C12H16N4S — CID 65483093

IUPAC4-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
SMILESCN(CCc1csc(N)n1)Cc1cccnc1
InChIInChI=1S/C12H16N4S/c1-16(8-10-3-2-5-14-7-10)6-4-11-9-17-12(13)15-11/h2-3,5,7,9H,4,6,8H2,1H3,(H2,13,15)
InChIKeyAEXHWQHYTUIEJB-UHFFFAOYSA-N
MW248.36 g/mol
LogP1.79
Rot. Bonds5

About 4-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine

4-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine (PubChem CID 65483093) has the molecular formula C12H16N4S and a molecular weight of 248.36 g/mol. Its IUPAC name is 4-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
PubChem CID65483093
Molecular FormulaC12H16N4S
Molecular Weight248.36 g/mol
Exact Mass248.11
IUPAC Name4-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
SMILESCN(CCc1csc(N)n1)Cc1cccnc1
InChIInChI=1S/C12H16N4S/c1-16(8-10-3-2-5-14-7-10)6-4-11-9-17-12(13)15-11/h2-3,5,7,9H,4,6,8H2,1H3,(H2,13,15)
InChIKeyAEXHWQHYTUIEJB-UHFFFAOYSA-N
XLogP1.79
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine
CID 65482707
N-methyl-2-pyridin-2-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 2055754
4-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 43664653
4-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65484461
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 61286516
4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 61414352
4-[2-[methoxy(methyl)amino]ethyl]-1,3-thiazol-2-amine
CID 114396487
[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methanamine
CID 43248750
N-methyl-1-pyridin-3-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 76540758
2-ethyl-1-N-methyl-1-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 79813886
N,5-dimethyl-N-(pyridin-3-ylmethyl)hexan-1-amine
CID 59176505

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine (CID 65483093) is 4-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine is CN(CCc1csc(N)n1)Cc1cccnc1.
What is the InChIKey of 4-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine?
The InChIKey is AEXHWQHYTUIEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-16(8-10-3-2-5-14-7-10)6-4-11-9-17-12(13)15-11/h2-3,5,7,9H,4,6,8H2,1H3,(H2,13,15).
What are the key properties of 4-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine?
4-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine has a molecular weight of 248.36 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65483093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).