7-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C11H10N4OS4 — CID 7692222

IUPAC7-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCSc1nnc(SCc2cc(=O)n3ccsc3n2)s1
InChIInChI=1S/C11H10N4OS4/c1-2-17-10-13-14-11(20-10)19-6-7-5-8(16)15-3-4-18-9(15)12-7/h3-5H,2,6H2,1H3
InChIKeyGYHJMXHYHUMZBH-UHFFFAOYSA-N
MW342.50 g/mol
LogP3.01
Rot. Bonds5

About 7-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 7692222) has the molecular formula C11H10N4OS4 and a molecular weight of 342.50 g/mol. Its IUPAC name is 7-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID7692222
Molecular FormulaC11H10N4OS4
Molecular Weight342.50 g/mol
Exact Mass341.97
IUPAC Name7-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCSc1nnc(SCc2cc(=O)n3ccsc3n2)s1
InChIInChI=1S/C11H10N4OS4/c1-2-17-10-13-14-11(20-10)19-6-7-5-8(16)15-3-4-18-9(15)12-7/h3-5H,2,6H2,1H3
InChIKeyGYHJMXHYHUMZBH-UHFFFAOYSA-N
XLogP3.01
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.50
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 7692222) is 7-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCSc1nnc(SCc2cc(=O)n3ccsc3n2)s1.
What is the InChIKey of 7-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is GYHJMXHYHUMZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS4/c1-2-17-10-13-14-11(20-10)19-6-7-5-8(16)15-3-4-18-9(15)12-7/h3-5H,2,6H2,1H3.
What are the key properties of 7-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 342.50 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 7692222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).