2-(5-methyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine

C12H15N3S — CID 115640601

IUPAC2-(5-methyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESCc1cnc(CCNCc2ccncc2)s1
InChIInChI=1S/C12H15N3S/c1-10-8-15-12(16-10)4-7-14-9-11-2-5-13-6-3-11/h2-3,5-6,8,14H,4,7,9H2,1H3
InChIKeyAVLICPGJADMBBX-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.18
Rot. Bonds5

About 2-(5-methyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine

2-(5-methyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 115640601) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-(5-methyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(5-methyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID115640601
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name2-(5-methyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESCc1cnc(CCNCc2ccncc2)s1
InChIInChI=1S/C12H15N3S/c1-10-8-15-12(16-10)4-7-14-9-11-2-5-13-6-3-11/h2-3,5-6,8,14H,4,7,9H2,1H3
InChIKeyAVLICPGJADMBBX-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'}

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Related Compounds

N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylethanamine
CID 46784215
N-[(1-methylpyrrol-2-yl)methyl]-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115641746
N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 54943545
N-(cyclopentylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115907724
N-(cyclohexylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115756917
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-pyridin-4-ylethanamine
CID 106372261
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-N'-phenylethane-1,2-diamine
CID 114128264
2-(5-bromothiophen-2-yl)-N-(pyridin-4-ylmethyl)ethanamine;hydrochloride
CID 115593241
N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 101163000
N-methyl-4-[(2-pyridin-4-ylethylamino)methyl]aniline
CID 115212846
N-[[5-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 112755681
2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 103991490

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of 2-(5-methyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine (CID 115640601) is 2-(5-methyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(5-methyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(5-methyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine is Cc1cnc(CCNCc2ccncc2)s1.
What is the InChIKey of 2-(5-methyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is AVLICPGJADMBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-10-8-15-12(16-10)4-7-14-9-11-2-5-13-6-3-11/h2-3,5-6,8,14H,4,7,9H2,1H3.
What are the key properties of 2-(5-methyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine?
2-(5-methyl-1,3-thiazol-2-yl)-N-(pyridin-4-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-(5-methyl-1,3-thiazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 115640601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).