3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide

C₁₂H₂₀N₄OS₂ — CID 103384184

About 3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide

3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide (PubChem CID 103384184) has the molecular formula C₁₂H₂₀N₄OS₂ and a molecular weight of 300.45 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide
• PubChem CID: 103384184
• Molecular Formula: C₁₂H₂₀N₄OS₂
• Molecular Weight: 300.45 g/mol
• Exact Mass: 300.11
• IUPAC Name: 3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide
• SMILES: CSCCCCNc1snc(N)c1C(=O)NC1CC1
• InChI: InChI=1S/C12H20N4OS2/c1-18-7-3-2-6-14-12-9(10(13)16-19-12)11(17)15-8-4-5-8/h8,14H,2-7H2,1H3,(H2,13,16)(H,15,17)
• InChIKey: CNHZYMIPWJTKSV-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 80.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	300.45
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide?

The IUPAC name of 3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide (CID 103384184) is 3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide.

What is the SMILES notation for 3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide?

The canonical SMILES for 3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide is CSCCCCNc1snc(N)c1C(=O)NC1CC1.

What is the InChIKey of 3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide?

The InChIKey is CNHZYMIPWJTKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS2/c1-18-7-3-2-6-14-12-9(10(13)16-19-12)11(17)15-8-4-5-8/h8,14H,2-7H2,1H3,(H2,13,16)(H,15,17).

What are the key properties of 3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide?

3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 300.45 g/mol, XLogP of 2.17, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103384184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 103384184 — identifiers, structure, computed properties (public domain)

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