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

C₁₀H₁₅N₅S — CID 50954365

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine (PubChem CID 50954365) has the molecular formula C₁₀H₁₅N₅S and a molecular weight of 237.33 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine.

Molecular Properties

• Compound Name: N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
• PubChem CID: 50954365
• Molecular Formula: C₁₀H₁₅N₅S
• Molecular Weight: 237.33 g/mol
• Exact Mass: 237.10
• IUPAC Name: N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
• SMILES: Cc1nc(CNC(C)Cn2cncn2)cs1
• InChI: InChI=1S/C10H15N5S/c1-8(4-15-7-11-6-13-15)12-3-10-5-16-9(2)14-10/h5-8,12H,3-4H2,1-2H3
• InChIKey: CDANADJXUNCVNO-UHFFFAOYSA-N
• XLogP: 1.22
• TPSA: 55.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	237.33
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?

The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine (CID 50954365) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine.

What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?

The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine is Cc1nc(CNC(C)Cn2cncn2)cs1.

What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?

The InChIKey is CDANADJXUNCVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-8(4-15-7-11-6-13-15)12-3-10-5-16-9(2)14-10/h5-8,12H,3-4H2,1-2H3.

What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine has a molecular weight of 237.33 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine is sourced from PubChem (CID 50954365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 50954365 — identifiers, structure, computed properties (public domain)

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