2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide

C14H15N7O2S — CID 72898651

About 2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide

2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 72898651) has the molecular formula C14H15N7O2S and a molecular weight of 345.39 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
• PubChem CID: 72898651
• Molecular Formula: C14H15N7O2S
• Molecular Weight: 345.39 g/mol
• Exact Mass: 345.10
• IUPAC Name: 2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
• SMILES: Cc1nc(-c2ncc(C(=O)NC(C)c3nncn3C)c(=O)[nH]2)cs1
• InChI: InChI=1S/C14H15N7O2S/c1-7(12-20-16-6-21(12)3)17-13(22)9-4-15-11(19-14(9)23)10-5-24-8(2)18-10/h4-7H,1-3H3,(H,17,22)(H,15,19,23)
• InChIKey: MBJUJCRDLLTHCG-UHFFFAOYSA-N
• XLogP: 0.82
• TPSA: 118.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.39
LogP ≤ 5	0.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?

The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 72898651) is 2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide.

What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?

The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide is Cc1nc(-c2ncc(C(=O)NC(C)c3nncn3C)c(=O)[nH]2)cs1.

What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?

The InChIKey is MBJUJCRDLLTHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O2S/c1-7(12-20-16-6-21(12)3)17-13(22)9-4-15-11(19-14(9)23)10-5-24-8(2)18-10/h4-7H,1-3H3,(H,17,22)(H,15,19,23).

What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?

2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 345.39 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72898651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).