N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C15H15N5O3S — CID 127951490

About N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 127951490) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 127951490
• Molecular Formula: C15H15N5O3S
• Molecular Weight: 345.38 g/mol
• Exact Mass: 345.09
• IUPAC Name: N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: Cc1sc2ncc(C(=O)NCc3nnc(C4CC4)o3)c(=O)n2c1C
• InChI: InChI=1S/C15H15N5O3S/c1-7-8(2)24-15-17-5-10(14(22)20(7)15)12(21)16-6-11-18-19-13(23-11)9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H,16,21)
• InChIKey: YTYAQDRUUFEPCB-UHFFFAOYSA-N
• XLogP: 1.56
• TPSA: 102.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.38
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 127951490) is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1sc2ncc(C(=O)NCc3nnc(C4CC4)o3)c(=O)n2c1C.

What is the InChIKey of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is YTYAQDRUUFEPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-7-8(2)24-15-17-5-10(14(22)20(7)15)12(21)16-6-11-18-19-13(23-11)9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H,16,21).

What are the key properties of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 127951490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).