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

C11H13N3S — CID 63829197

IUPACN-(pyridin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
SMILESc1ccc(CNCCc2cscn2)nc1
InChIInChI=1S/C11H13N3S/c1-2-5-13-10(3-1)7-12-6-4-11-8-15-9-14-11/h1-3,5,8-9,12H,4,6-7H2
InChIKeySIXBPXHBCIRVME-UHFFFAOYSA-N
MW219.31 g/mol
LogP1.87
Rot. Bonds5

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

N-(pyridin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine (PubChem CID 63829197) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
PubChem CID63829197
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC NameN-(pyridin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
SMILESc1ccc(CNCCc2cscn2)nc1
InChIInChI=1S/C11H13N3S/c1-2-5-13-10(3-1)7-12-6-4-11-8-15-9-14-11/h1-3,5,8-9,12H,4,6-7H2
InChIKeySIXBPXHBCIRVME-UHFFFAOYSA-N
XLogP1.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 51.87
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

6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyridin-3-ol
CID 79794984
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
2-(1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 63829370
2-(2-chlorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 115596018
3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]naphthalen-2-amine
CID 63824853
4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 158855450
N-(1H-imidazol-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63829341
N-[(2,3-dimethylphenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63830404
3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-quinolin-2-one
CID 63829701
2-pyridin-2-yl-N-[[7-[(2-pyridin-2-ylethylamino)methyl]-1,8-naphthyridin-2-yl]methyl]ethanamine
CID 15544455
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 4723814
2-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 4723813

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-(pyridin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine (CID 63829197) is N-(pyridin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-(pyridin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine is c1ccc(CNCCc2cscn2)nc1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is SIXBPXHBCIRVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-2-5-13-10(3-1)7-12-6-4-11-8-15-9-14-11/h1-3,5,8-9,12H,4,6-7H2.
What are the key properties of N-(pyridin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine?
N-(pyridin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 219.31 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 63829197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).