5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride

C12H19ClN6S — CID 120901768

About 5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120901768) has the molecular formula C12H19ClN6S and a molecular weight of 314.85 g/mol. Its IUPAC name is 5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

• Compound Name: 5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
• PubChem CID: 120901768
• Molecular Formula: C12H19ClN6S
• Molecular Weight: 314.85 g/mol
• Exact Mass: 314.11
• IUPAC Name: 5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
• SMILES: Cc1nc(C2CCCN(Cc3cnc(N)s3)C2)n[nH]1.Cl
• InChI: InChI=1S/C12H18N6S.ClH/c1-8-15-11(17-16-8)9-3-2-4-18(6-9)7-10-5-14-12(13)19-10;/h5,9H,2-4,6-7H2,1H3,(H2,13,14)(H,15,16,17);1H
• InChIKey: RPABYYAFYHAMNK-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 83.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.85
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?

The IUPAC name of 5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120901768) is 5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.

What is the SMILES notation for 5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?

The canonical SMILES for 5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is Cc1nc(C2CCCN(Cc3cnc(N)s3)C2)n[nH]1.Cl.

What is the InChIKey of 5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?

The InChIKey is RPABYYAFYHAMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6S.ClH/c1-8-15-11(17-16-8)9-3-2-4-18(6-9)7-10-5-14-12(13)19-10;/h5,9H,2-4,6-7H2,1H3,(H2,13,14)(H,15,16,17);1H.

What are the key properties of 5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?

5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 314.85 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120901768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).