5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

C16H26Cl2N6OS — CID 119858719

About 5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (PubChem CID 119858719) has the molecular formula C16H26Cl2N6OS and a molecular weight of 421.40 g/mol. Its IUPAC name is 5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: 5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
• PubChem CID: 119858719
• Molecular Formula: C16H26Cl2N6OS
• Molecular Weight: 421.40 g/mol
• Exact Mass: 420.13
• IUPAC Name: 5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
• SMILES: Cc1csc(C(C)(C)NC(=O)c2nnn(C3CCNCC3)c2C)n1.Cl.Cl
• InChI: InChI=1S/C16H24N6OS.2ClH/c1-10-9-24-15(18-10)16(3,4)19-14(23)13-11(2)22(21-20-13)12-5-7-17-8-6-12;;/h9,12,17H,5-8H2,1-4H3,(H,19,23);2*1H
• InChIKey: IZXFMFRTSUQROG-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.40
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?

The IUPAC name of 5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (CID 119858719) is 5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.

What is the SMILES notation for 5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?

The canonical SMILES for 5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is Cc1csc(C(C)(C)NC(=O)c2nnn(C3CCNCC3)c2C)n1.Cl.Cl.

What is the InChIKey of 5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?

The InChIKey is IZXFMFRTSUQROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6OS.2ClH/c1-10-9-24-15(18-10)16(3,4)19-14(23)13-11(2)22(21-20-13)12-5-7-17-8-6-12;;/h9,12,17H,5-8H2,1-4H3,(H,19,23);2*1H.

What are the key properties of 5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?

5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride has a molecular weight of 421.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119858719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).