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

C11H13N3S — CID 62544977

IUPACN-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNCc1nc(-c2cccnc2)cs1
InChIInChI=1S/C11H13N3S/c1-2-12-7-11-14-10(8-15-11)9-4-3-5-13-6-9/h3-6,8,12H,2,7H2,1H3
InChIKeyITIMLROXVMNDJW-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.31
Rot. Bonds4

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

N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 62544977) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID62544977
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC NameN-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNCc1nc(-c2cccnc2)cs1
InChIInChI=1S/C11H13N3S/c1-2-12-7-11-14-10(8-15-11)9-4-3-5-13-6-9/h3-6,8,12H,2,7H2,1H3
InChIKeyITIMLROXVMNDJW-UHFFFAOYSA-N
XLogP2.31
TPSA37.81 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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 62543899
N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62544339
N-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558381
N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116965021
N-(pyridin-4-ylmethyl)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 82103434
2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 24690096
4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-ol
CID 116968662
3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid
CID 82116416
N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61280471
2-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol
CID 82103016
2-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-2-amine
CID 116965254

Frequently Asked Questions

What is the IUPAC name of N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine (CID 62544977) is N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine is CCNCc1nc(-c2cccnc2)cs1.
What is the InChIKey of N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is ITIMLROXVMNDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-2-12-7-11-14-10(8-15-11)9-4-3-5-13-6-9/h3-6,8,12H,2,7H2,1H3.
What are the key properties of N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine?
N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 219.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 62544977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).