5-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenyltriazole-4-carboxamide

C17H18N6OS — CID 31245667

About 5-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenyltriazole-4-carboxamide

5-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenyltriazole-4-carboxamide (PubChem CID 31245667) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is 5-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenyltriazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenyltriazole-4-carboxamide
• PubChem CID: 31245667
• Molecular Formula: C17H18N6OS
• Molecular Weight: 354.44 g/mol
• Exact Mass: 354.13
• IUPAC Name: 5-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenyltriazole-4-carboxamide
• SMILES: Cc1nn(-c2ccccc2)nc1C(=O)Nc1nc2c(s1)CN(C)CC2
• InChI: InChI=1S/C17H18N6OS/c1-11-15(21-23(20-11)12-6-4-3-5-7-12)16(24)19-17-18-13-8-9-22(2)10-14(13)25-17/h3-7H,8-10H2,1-2H3,(H,18,19,24)
• InChIKey: NVYSJTPLOZJCAU-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.44
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenyltriazole-4-carboxamide?

The IUPAC name of 5-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenyltriazole-4-carboxamide (CID 31245667) is 5-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenyltriazole-4-carboxamide.

What is the SMILES notation for 5-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenyltriazole-4-carboxamide?

The canonical SMILES for 5-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenyltriazole-4-carboxamide is Cc1nn(-c2ccccc2)nc1C(=O)Nc1nc2c(s1)CN(C)CC2.

What is the InChIKey of 5-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenyltriazole-4-carboxamide?

The InChIKey is NVYSJTPLOZJCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c1-11-15(21-23(20-11)12-6-4-3-5-7-12)16(24)19-17-18-13-8-9-22(2)10-14(13)25-17/h3-7H,8-10H2,1-2H3,(H,18,19,24).

What are the key properties of 5-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenyltriazole-4-carboxamide?

5-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenyltriazole-4-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 31245667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).