2-(azetidin-3-ylidene)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine

C10H15N3S — CID 116680460

IUPAC2-(azetidin-3-ylidene)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
SMILESCC(CNCc1cncs1)=C1CNC1
InChIInChI=1S/C10H15N3S/c1-8(9-3-12-4-9)2-11-5-10-6-13-7-14-10/h6-7,11-12H,2-5H2,1H3
InChIKeyMOJCGZFEFFCHAB-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.15
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine

2-(azetidin-3-ylidene)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine (PubChem CID 116680460) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
PubChem CID116680460
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name2-(azetidin-3-ylidene)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
SMILESCC(CNCc1cncs1)=C1CNC1
InChIInChI=1S/C10H15N3S/c1-8(9-3-12-4-9)2-11-5-10-6-13-7-14-10/h6-7,11-12H,2-5H2,1H3
InChIKeyMOJCGZFEFFCHAB-UHFFFAOYSA-N
XLogP1.15
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-(1,3-thiazol-5-ylmethylamino)acetamide
CID 81422252
1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride
CID 167715845
1-pyrrolidin-1-yl-2-(1,3-thiazol-5-ylmethylamino)ethanone
CID 115732052
N-(1,3-thiazol-5-ylmethyl)hydroxylamine
CID 82687431
2-methyl-1-(1,3-thiazol-5-ylmethylamino)butan-2-ol
CID 65108079
N',N'-dimethyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
CID 62758290
2,6-dimethyl-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
CID 115732273
2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 104589139
2-(azetidin-3-ylidene)-N-[(2-methylcyclopropyl)methyl]propan-1-amine
CID 116680409
N-(1,3-thiazol-5-ylmethyl)heptan-1-amine
CID 115732008
2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclobutyl]ethanol
CID 115733110
N-[(1-ethylcyclopentyl)methyl]-1-(1,3-thiazol-5-yl)methanamine
CID 115732815

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine (CID 116680460) is 2-(azetidin-3-ylidene)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine is CC(CNCc1cncs1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine?
The InChIKey is MOJCGZFEFFCHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-8(9-3-12-4-9)2-11-5-10-6-13-7-14-10/h6-7,11-12H,2-5H2,1H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine?
2-(azetidin-3-ylidene)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine has a molecular weight of 209.32 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 116680460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).