N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide

C₁₄H₁₄N₄OS — CID 510289

About N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide

N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide (PubChem CID 510289) has the molecular formula C₁₄H₁₄N₄OS and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide.

Molecular Properties

• Compound Name: N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
• PubChem CID: 510289
• Molecular Formula: C₁₄H₁₄N₄OS
• Molecular Weight: 286.36 g/mol
• Exact Mass: 286.09
• IUPAC Name: N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
• SMILES: O=C(C=Cc1ccccc1)Nc1nnc(NC2CC2)s1
• InChI: InChI=1S/C14H14N4OS/c19-12(9-6-10-4-2-1-3-5-10)16-14-18-17-13(20-14)15-11-7-8-11/h1-6,9,11H,7-8H2,(H,15,17)(H,16,18,19)
• InChIKey: LNUNUHCSPZGRGF-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 66.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	286.36
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide?

The IUPAC name of N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide (CID 510289) is N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide.

What is the SMILES notation for N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide?

The canonical SMILES for N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide is O=C(C=Cc1ccccc1)Nc1nnc(NC2CC2)s1.

What is the InChIKey of N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide?

The InChIKey is LNUNUHCSPZGRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c19-12(9-6-10-4-2-1-3-5-10)16-14-18-17-13(20-14)15-11-7-8-11/h1-6,9,11H,7-8H2,(H,15,17)(H,16,18,19).

What are the key properties of N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide?

N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide has a molecular weight of 286.36 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 510289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 510289 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.