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

C17H15N5OS2 — CID 2571340

IUPAC7-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCn1c(Cc2ccccc2)nnc1SCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C17H15N5OS2/c1-21-14(9-12-5-3-2-4-6-12)19-20-17(21)25-11-13-10-15(23)22-7-8-24-16(22)18-13/h2-8,10H,9,11H2,1H3
InChIKeyFFYINOLTXKGPRE-UHFFFAOYSA-N
MW369.48 g/mol
LogP2.77
Rot. Bonds5

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

7-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2571340) has the molecular formula C17H15N5OS2 and a molecular weight of 369.48 g/mol. Its IUPAC name is 7-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2571340
Molecular FormulaC17H15N5OS2
Molecular Weight369.48 g/mol
Exact Mass369.07
IUPAC Name7-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCn1c(Cc2ccccc2)nnc1SCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C17H15N5OS2/c1-21-14(9-12-5-3-2-4-6-12)19-20-17(21)25-11-13-10-15(23)22-7-8-24-16(22)18-13/h2-8,10H,9,11H2,1H3
InChIKeyFFYINOLTXKGPRE-UHFFFAOYSA-N
XLogP2.77
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2571340) is 7-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cn1c(Cc2ccccc2)nnc1SCc1cc(=O)n2ccsc2n1.
What is the InChIKey of 7-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is FFYINOLTXKGPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS2/c1-21-14(9-12-5-3-2-4-6-12)19-20-17(21)25-11-13-10-15(23)22-7-8-24-16(22)18-13/h2-8,10H,9,11H2,1H3.
What are the key properties of 7-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 369.48 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2571340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).