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

C10H17N3S — CID 116679709

IUPAC2-(azetidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCc1csc(CNCCC2CNC2)n1
InChIInChI=1S/C10H17N3S/c1-8-7-14-10(13-8)6-11-3-2-9-4-12-5-9/h7,9,11-12H,2-6H2,1H3
InChIKeyYVAYPFQUFDIJBL-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.15
Rot. Bonds5

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

2-(azetidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 116679709) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID116679709
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-(azetidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCc1csc(CNCCC2CNC2)n1
InChIInChI=1S/C10H17N3S/c1-8-7-14-10(13-8)6-11-3-2-9-4-12-5-9/h7,9,11-12H,2-6H2,1H3
InChIKeyYVAYPFQUFDIJBL-UHFFFAOYSA-N
XLogP1.15
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-3-ylethanamine
CID 63241058
2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 80695663
N-[2-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115633613
4-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 106844765
N-[(4-methyl-1,3-thiazol-2-yl)methyl]hexan-1-amine
CID 61042868
4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
CID 78992704
5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
CID 107320377
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-2-ylethanamine
CID 66426868
1-(4-tert-butylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 104574977
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propane-1-sulfonamide
CID 104770025
N',N'-diethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine
CID 78992525
N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 61044449

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-(azetidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine (CID 116679709) is 2-(azetidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(azetidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine is Cc1csc(CNCCC2CNC2)n1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is YVAYPFQUFDIJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-8-7-14-10(13-8)6-11-3-2-9-4-12-5-9/h7,9,11-12H,2-6H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
2-(azetidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 211.33 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 116679709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).