7-[(5-cyclopropyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H17N5OS2 — CID 19727233

About 7-[(5-cyclopropyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[(5-cyclopropyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 19727233) has the molecular formula C15H17N5OS2 and a molecular weight of 347.47 g/mol. Its IUPAC name is 7-[(5-cyclopropyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 7-[(5-cyclopropyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
• PubChem CID: 19727233
• Molecular Formula: C15H17N5OS2
• Molecular Weight: 347.47 g/mol
• Exact Mass: 347.09
• IUPAC Name: 7-[(5-cyclopropyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
• SMILES: CC(C)n1c(SCc2cc(=O)n3ccsc3n2)nnc1C1CC1
• InChI: InChI=1S/C15H17N5OS2/c1-9(2)20-13(10-3-4-10)17-18-15(20)23-8-11-7-12(21)19-5-6-22-14(19)16-11/h5-7,9-10H,3-4,8H2,1-2H3
• InChIKey: WCMCJYVNMBZDQF-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 65.08 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.47
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-[(5-cyclopropyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

The IUPAC name of 7-[(5-cyclopropyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 19727233) is 7-[(5-cyclopropyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

What is the SMILES notation for 7-[(5-cyclopropyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

The canonical SMILES for 7-[(5-cyclopropyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC(C)n1c(SCc2cc(=O)n3ccsc3n2)nnc1C1CC1.

What is the InChIKey of 7-[(5-cyclopropyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

The InChIKey is WCMCJYVNMBZDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS2/c1-9(2)20-13(10-3-4-10)17-18-15(20)23-8-11-7-12(21)19-5-6-22-14(19)16-11/h5-7,9-10H,3-4,8H2,1-2H3.

What are the key properties of 7-[(5-cyclopropyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

7-[(5-cyclopropyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 347.47 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(5-cyclopropyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 19727233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).