N,N-diethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine

C₁₁H₁₈N₆S — CID 54885215

About N,N-diethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine

N,N-diethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 54885215) has the molecular formula C₁₁H₁₈N₆S and a molecular weight of 266.37 g/mol. Its IUPAC name is N,N-diethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N,N-diethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine
• PubChem CID: 54885215
• Molecular Formula: C₁₁H₁₈N₆S
• Molecular Weight: 266.37 g/mol
• Exact Mass: 266.13
• IUPAC Name: N,N-diethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine
• SMILES: CCN(CC)c1ncc(CNCc2ncn[nH]2)s1
• InChI: InChI=1S/C11H18N6S/c1-3-17(4-2)11-13-6-9(18-11)5-12-7-10-14-8-15-16-10/h6,8,12H,3-5,7H2,1-2H3,(H,14,15,16)
• InChIKey: WZXIDPHDLBZELJ-UHFFFAOYSA-N
• XLogP: 1.40
• TPSA: 69.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	266.37
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine?

The IUPAC name of N,N-diethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine (CID 54885215) is N,N-diethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine.

What is the SMILES notation for N,N-diethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine?

The canonical SMILES for N,N-diethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine is CCN(CC)c1ncc(CNCc2ncn[nH]2)s1.

What is the InChIKey of N,N-diethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine?

The InChIKey is WZXIDPHDLBZELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6S/c1-3-17(4-2)11-13-6-9(18-11)5-12-7-10-14-8-15-16-10/h6,8,12H,3-5,7H2,1-2H3,(H,14,15,16).

What are the key properties of N,N-diethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine?

N,N-diethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 266.37 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 54885215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 54885215 — identifiers, structure, computed properties (public domain)

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