4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine

C11H17N3S — CID 79208325

IUPAC4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine
SMILESCc1ncc(CNCC2C=CC(N)C2)s1
InChIInChI=1S/C11H17N3S/c1-8-14-7-11(15-8)6-13-5-9-2-3-10(12)4-9/h2-3,7,9-10,13H,4-6,12H2,1H3
InChIKeyVQYJSVCTCXQGJZ-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.44
Rot. Bonds4

About 4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine

4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine (PubChem CID 79208325) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine
PubChem CID79208325
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine
SMILESCc1ncc(CNCC2C=CC(N)C2)s1
InChIInChI=1S/C11H17N3S/c1-8-14-7-11(15-8)6-13-5-9-2-3-10(12)4-9/h2-3,7,9-10,13H,4-6,12H2,1H3
InChIKeyVQYJSVCTCXQGJZ-UHFFFAOYSA-N
XLogP1.44
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-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

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine (CID 79208325) is 4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine is Cc1ncc(CNCC2C=CC(N)C2)s1.
What is the InChIKey of 4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine?
The InChIKey is VQYJSVCTCXQGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-8-14-7-11(15-8)6-13-5-9-2-3-10(12)4-9/h2-3,7,9-10,13H,4-6,12H2,1H3.
What are the key properties of 4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine?
4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine has a molecular weight of 223.34 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 79208325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).