2-(2-methyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)ethanamine

C12H15N3S — CID 115747393

IUPAC2-(2-methyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESCc1ncc(CCNCc2cccnc2)s1
InChIInChI=1S/C12H15N3S/c1-10-15-9-12(16-10)4-6-14-8-11-3-2-5-13-7-11/h2-3,5,7,9,14H,4,6,8H2,1H3
InChIKeySTESHHFNJUMPCW-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.18
Rot. Bonds5

About 2-(2-methyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)ethanamine

2-(2-methyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 115747393) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID115747393
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name2-(2-methyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESCc1ncc(CCNCc2cccnc2)s1
InChIInChI=1S/C12H15N3S/c1-10-15-9-12(16-10)4-6-14-8-11-3-2-5-13-7-11/h2-3,5,7,9,14H,4,6,8H2,1H3
InChIKeySTESHHFNJUMPCW-UHFFFAOYSA-N
XLogP2.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-methyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)ethanamine 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

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-3-ylethanamine
CID 54883723
2-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-thiazole-5-sulfonamide
CID 103951403
N-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115747364
4-[2-(pyridin-3-ylmethylamino)ethyl]aniline
CID 82257248
3-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline
CID 65350320
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 61214868
4-[(2-pyridin-3-ylethylamino)methyl]aniline
CID 115212558
N-(pyridin-3-ylmethyl)propan-1-amine;yttrium
CID 59057937
2,2-dimethyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115747399
4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine
CID 106844346
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17292499

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(2-methyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)ethanamine (CID 115747393) is 2-(2-methyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)ethanamine is Cc1ncc(CCNCc2cccnc2)s1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is STESHHFNJUMPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-10-15-9-12(16-10)4-6-14-8-11-3-2-5-13-7-11/h2-3,5,7,9,14H,4,6,8H2,1H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)ethanamine?
2-(2-methyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 233.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-5-yl)-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 115747393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).