2-(azetidin-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine

C12H21N3S — CID 116680144

IUPAC2-(azetidin-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCc1csc(C(C)NCC(C)C2CNC2)n1
InChIInChI=1S/C12H21N3S/c1-8(11-5-13-6-11)4-14-10(3)12-15-9(2)7-16-12/h7-8,10-11,13-14H,4-6H2,1-3H3
InChIKeyOOPHEUJGSUYSEG-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.96
Rot. Bonds5

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

2-(azetidin-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine (PubChem CID 116680144) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
PubChem CID116680144
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name2-(azetidin-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCc1csc(C(C)NCC(C)C2CNC2)n1
InChIInChI=1S/C12H21N3S/c1-8(11-5-13-6-11)4-14-10(3)12-15-9(2)7-16-12/h7-8,10-11,13-14H,4-6H2,1-3H3
InChIKeyOOPHEUJGSUYSEG-UHFFFAOYSA-N
XLogP1.96
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of 2-(azetidin-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine (CID 116680144) is 2-(azetidin-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 2-(azetidin-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine is Cc1csc(C(C)NCC(C)C2CNC2)n1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is OOPHEUJGSUYSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-8(11-5-13-6-11)4-14-10(3)12-15-9(2)7-16-12/h7-8,10-11,13-14H,4-6H2,1-3H3.
What are the key properties of 2-(azetidin-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
2-(azetidin-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 239.39 g/mol, XLogP of 1.96, 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-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 116680144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).