2-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]ethanamine

C11H13N3S — CID 62929665

IUPAC2-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(Cc2cccnc2)n1
InChIInChI=1S/C11H13N3S/c12-4-3-10-8-15-11(14-10)6-9-2-1-5-13-7-9/h1-2,5,7-8H,3-4,6,12H2
InChIKeyCYNDAZXJTIOYLG-UHFFFAOYSA-N
MW219.31 g/mol
LogP1.63
Rot. Bonds4

About 2-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]ethanamine

2-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 62929665) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID62929665
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name2-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(Cc2cccnc2)n1
InChIInChI=1S/C11H13N3S/c12-4-3-10-8-15-11(14-10)6-9-2-1-5-13-7-9/h1-2,5,7-8H,3-4,6,12H2
InChIKeyCYNDAZXJTIOYLG-UHFFFAOYSA-N
XLogP1.63
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 62928440
[4-methyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 62551037
2-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 83969649
3-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115089233
3-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115089230
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 24690096
2,4-dimethyl-5-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]-1,3-thiazole
CID 149358576
2-(2-aminoethyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 66388111
N-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]-N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine
CID 75399710
2-[2-[(4-methyl-3-nitrophenyl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 83969660
4-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65483093

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]ethanamine (CID 62929665) is 2-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]ethanamine is NCCc1csc(Cc2cccnc2)n1.
What is the InChIKey of 2-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is CYNDAZXJTIOYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c12-4-3-10-8-15-11(14-10)6-9-2-1-5-13-7-9/h1-2,5,7-8H,3-4,6,12H2.
What are the key properties of 2-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]ethanamine?
2-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 219.31 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 62929665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).