7-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H12N6OS2 — CID 2446182

IUPAC7-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1ccccc1-n1nnnc1SCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H12N6OS2/c1-10-4-2-3-5-12(10)21-15(17-18-19-21)24-9-11-8-13(22)20-6-7-23-14(20)16-11/h2-8H,9H2,1H3
InChIKeyAVLLZEDGRZHCTI-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.33
Rot. Bonds4

About 7-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2446182) has the molecular formula C15H12N6OS2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 7-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2446182
Molecular FormulaC15H12N6OS2
Molecular Weight356.44 g/mol
Exact Mass356.05
IUPAC Name7-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1ccccc1-n1nnnc1SCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H12N6OS2/c1-10-4-2-3-5-12(10)21-15(17-18-19-21)24-9-11-8-13(22)20-6-7-23-14(20)16-11/h2-8H,9H2,1H3
InChIKeyAVLLZEDGRZHCTI-UHFFFAOYSA-N
XLogP2.33
TPSA77.97 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2446182) is 7-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1ccccc1-n1nnnc1SCc1cc(=O)n2ccsc2n1.
What is the InChIKey of 7-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is AVLLZEDGRZHCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6OS2/c1-10-4-2-3-5-12(10)21-15(17-18-19-21)24-9-11-8-13(22)20-6-7-23-14(20)16-11/h2-8H,9H2,1H3.
What are the key properties of 7-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 356.44 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2446182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).