3-methyl-7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C10H9N5OS2 — CID 8006035

IUPAC3-methyl-7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CSc3ncn[nH]3)cc(=O)n12
InChIInChI=1S/C10H9N5OS2/c1-6-3-18-10-13-7(2-8(16)15(6)10)4-17-9-11-5-12-14-9/h2-3,5H,4H2,1H3,(H,11,12,14)
InChIKeyBQBMJUBGCWMAGO-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.47
Rot. Bonds3

About 3-methyl-7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3-methyl-7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 8006035) has the molecular formula C10H9N5OS2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-methyl-7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-methyl-7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID8006035
Molecular FormulaC10H9N5OS2
Molecular Weight279.35 g/mol
Exact Mass279.02
IUPAC Name3-methyl-7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CSc3ncn[nH]3)cc(=O)n12
InChIInChI=1S/C10H9N5OS2/c1-6-3-18-10-13-7(2-8(16)15(6)10)4-17-9-11-5-12-14-9/h2-3,5H,4H2,1H3,(H,11,12,14)
InChIKeyBQBMJUBGCWMAGO-UHFFFAOYSA-N
XLogP1.47
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-methyl-7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 8006035) is 3-methyl-7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-methyl-7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-methyl-7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(CSc3ncn[nH]3)cc(=O)n12.
What is the InChIKey of 3-methyl-7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is BQBMJUBGCWMAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5OS2/c1-6-3-18-10-13-7(2-8(16)15(6)10)4-17-9-11-5-12-14-9/h2-3,5H,4H2,1H3,(H,11,12,14).
What are the key properties of 3-methyl-7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-methyl-7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 279.35 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 8006035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).