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

C11H13N3S2 — CID 62582290

IUPACN-(pyridin-3-ylmethyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
SMILESc1cncc(CNCCSc2nccs2)c1
InChIInChI=1S/C11H13N3S2/c1-2-10(8-12-3-1)9-13-4-6-15-11-14-5-7-16-11/h1-3,5,7-8,13H,4,6,9H2
InChIKeyQEUJYCSTOVKEGM-UHFFFAOYSA-N
MW251.38 g/mol
LogP2.42
Rot. Bonds6

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

N-(pyridin-3-ylmethyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine (PubChem CID 62582290) has the molecular formula C11H13N3S2 and a molecular weight of 251.38 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
PubChem CID62582290
Molecular FormulaC11H13N3S2
Molecular Weight251.38 g/mol
Exact Mass251.06
IUPAC NameN-(pyridin-3-ylmethyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
SMILESc1cncc(CNCCSc2nccs2)c1
InChIInChI=1S/C11H13N3S2/c1-2-10(8-12-3-1)9-13-4-6-15-11-14-5-7-16-11/h1-3,5,7-8,13H,4,6,9H2
InChIKeyQEUJYCSTOVKEGM-UHFFFAOYSA-N
XLogP2.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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2-(1H-benzimidazol-2-ylsulfanyl)-N-(pyridin-3-ylmethyl)ethanamine
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2-(2-pyridin-3-ylethyl)-1,3-thiazole
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N-benzyl-2-pyridin-3-ylethanamine
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2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
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1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine;dihydrochloride
CID 163328741
2-(pyridin-3-ylmethylamino)ethanethiol;3-(pyridin-3-ylmethylamino)propane-1-thiol
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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine?
The IUPAC name of N-(pyridin-3-ylmethyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine (CID 62582290) is N-(pyridin-3-ylmethyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine is c1cncc(CNCCSc2nccs2)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine?
The InChIKey is QEUJYCSTOVKEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S2/c1-2-10(8-12-3-1)9-13-4-6-15-11-14-5-7-16-11/h1-3,5,7-8,13H,4,6,9H2.
What are the key properties of N-(pyridin-3-ylmethyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine?
N-(pyridin-3-ylmethyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine has a molecular weight of 251.38 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine is sourced from PubChem (CID 62582290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).