2-(azetidin-3-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine

C13H23N3S — CID 116680390

IUPAC2-(azetidin-3-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCc1cnc(C(C)NCC(C)C2CNC2)s1
InChIInChI=1S/C13H23N3S/c1-4-12-8-16-13(17-12)10(3)15-5-9(2)11-6-14-7-11/h8-11,14-15H,4-7H2,1-3H3
InChIKeyOOSLGJDKFUXMNG-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.21
Rot. Bonds6

About 2-(azetidin-3-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine

2-(azetidin-3-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine (PubChem CID 116680390) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
PubChem CID116680390
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name2-(azetidin-3-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCCc1cnc(C(C)NCC(C)C2CNC2)s1
InChIInChI=1S/C13H23N3S/c1-4-12-8-16-13(17-12)10(3)15-5-9(2)11-6-14-7-11/h8-11,14-15H,4-7H2,1-3H3
InChIKeyOOSLGJDKFUXMNG-UHFFFAOYSA-N
XLogP2.21
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(azetidin-3-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azetidin-3-yl-(5-ethyl-1,3-thiazol-2-yl)methanol
CID 131071479
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpentan-1-amine
CID 115904938
1-(5-ethyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)ethanamine
CID 113387356
1-cyclopentyl-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]propan-2-ol
CID 103158239
2-(azetidin-3-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 113267211
2-(azetidin-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 116680144
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 112696852
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpropan-2-ol
CID 115679819
5-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolane-2-carboxylic acid
CID 103263831
1-cyclobutyl-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115726794
N-[(3,5-dimethylphenyl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
CID 112696879
(1S)-1-(5-ethyl-1,3-thiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 96529352

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of 2-(azetidin-3-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine (CID 116680390) is 2-(azetidin-3-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 2-(azetidin-3-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine is CCc1cnc(C(C)NCC(C)C2CNC2)s1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is OOSLGJDKFUXMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-12-8-16-13(17-12)10(3)15-5-9(2)11-6-14-7-11/h8-11,14-15H,4-7H2,1-3H3.
What are the key properties of 2-(azetidin-3-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
2-(azetidin-3-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 2.21, 6 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-(5-ethyl-1,3-thiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 116680390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).