7-ethylsulfanyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile

C9H9N3OS2 — CID 139613054

IUPAC7-ethylsulfanyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile
SMILESCCSc1nc2n(c(=O)c1C#N)CCS2
InChIInChI=1S/C9H9N3OS2/c1-2-14-7-6(5-10)8(13)12-3-4-15-9(12)11-7/h2-4H2,1H3
InChIKeyBXUKUCXFLGZSSF-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.33
Rot. Bonds2

About 7-ethylsulfanyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile

7-ethylsulfanyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile (PubChem CID 139613054) has the molecular formula C9H9N3OS2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 7-ethylsulfanyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-ethylsulfanyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile
PubChem CID139613054
Molecular FormulaC9H9N3OS2
Molecular Weight239.32 g/mol
Exact Mass239.02
IUPAC Name7-ethylsulfanyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile
SMILESCCSc1nc2n(c(=O)c1C#N)CCS2
InChIInChI=1S/C9H9N3OS2/c1-2-14-7-6(5-10)8(13)12-3-4-15-9(12)11-7/h2-4H2,1H3
InChIKeyBXUKUCXFLGZSSF-UHFFFAOYSA-N
XLogP1.33
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-ethylsulfanyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-ethylsulfanyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile (CID 139613054) is 7-ethylsulfanyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-ethylsulfanyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-ethylsulfanyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile is CCSc1nc2n(c(=O)c1C#N)CCS2.
What is the InChIKey of 7-ethylsulfanyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile?
The InChIKey is BXUKUCXFLGZSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS2/c1-2-14-7-6(5-10)8(13)12-3-4-15-9(12)11-7/h2-4H2,1H3.
What are the key properties of 7-ethylsulfanyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile?
7-ethylsulfanyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile has a molecular weight of 239.32 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylsulfanyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 139613054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).