2-(azetidin-3-ylidene)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine

C12H19N3S — CID 116680086

IUPAC2-(azetidin-3-ylidene)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCC(CN(C)Cc1scnc1C)=C1CNC1
InChIInChI=1S/C12H19N3S/c1-9(11-4-13-5-11)6-15(3)7-12-10(2)14-8-16-12/h8,13H,4-7H2,1-3H3
InChIKeyVYRHYDQIOSPIFP-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.80
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine

2-(azetidin-3-ylidene)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine (PubChem CID 116680086) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
PubChem CID116680086
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-(azetidin-3-ylidene)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCC(CN(C)Cc1scnc1C)=C1CNC1
InChIInChI=1S/C12H19N3S/c1-9(11-4-13-5-11)6-15(3)7-12-10(2)14-8-16-12/h8,13H,4-7H2,1-3H3
InChIKeyVYRHYDQIOSPIFP-UHFFFAOYSA-N
XLogP1.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(azetidin-3-ylidene)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]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

N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 95364029
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanethioamide
CID 63838147
N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]but-2-ene-1,4-diamine
CID 77110220
1-(4-iodophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanone
CID 63838016
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-4-ylpropan-1-amine
CID 55261344
potassium trifluoro-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]boranuide
CID 63841451
2-(1,3-dioxan-2-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 66474937
N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide
CID 63821061
hydrazinyl 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanoate
CID 66338786
2-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethoxy]ethanol
CID 63837503

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of 2-(azetidin-3-ylidene)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine (CID 116680086) is 2-(azetidin-3-ylidene)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine is CC(CN(C)Cc1scnc1C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The InChIKey is VYRHYDQIOSPIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-9(11-4-13-5-11)6-15(3)7-12-10(2)14-8-16-12/h8,13H,4-7H2,1-3H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
2-(azetidin-3-ylidene)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine has a molecular weight of 237.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 116680086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).