8-ethyl-6-methyl-7-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-olate

C9H12N2O2S — CID 13463978

IUPAC8-ethyl-6-methyl-7-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-olate
SMILESCCn1c2[n+](c([O-])c(C)c1=O)CCS2
InChIInChI=1S/C9H12N2O2S/c1-3-10-7(12)6(2)8(13)11-4-5-14-9(10)11/h3-5H2,1-2H3
InChIKeySGEHPIQFLPPMRW-UHFFFAOYSA-N
MW212.27 g/mol
LogP-0.36
Rot. Bonds1

About 8-ethyl-6-methyl-7-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-olate

8-ethyl-6-methyl-7-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-olate (PubChem CID 13463978) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 8-ethyl-6-methyl-7-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-olate.

Molecular Properties

Compound Name8-ethyl-6-methyl-7-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-olate
PubChem CID13463978
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name8-ethyl-6-methyl-7-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-olate
SMILESCCn1c2[n+](c([O-])c(C)c1=O)CCS2
InChIInChI=1S/C9H12N2O2S/c1-3-10-7(12)6(2)8(13)11-4-5-14-9(10)11/h3-5H2,1-2H3
InChIKeySGEHPIQFLPPMRW-UHFFFAOYSA-N
XLogP-0.36
TPSA48.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-7-hydroxy-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 135420401
N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 47473349
7-(Dimethylamino)-6-ethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126459008
7-ethylsulfanyl-N-methyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469273
N,2-dimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469275
8-Ethyl-7-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-olate
CID 12568988
8-Ethyl-6-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate
CID 13463976
6,8-Dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate
CID 21718462
7-Amino-6-ethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 10465308
6,7-Dimethyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17122091
6-Methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 20772195
7-hydroxy-6-methyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 135502042

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-methyl-7-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-olate?
The IUPAC name of 8-ethyl-6-methyl-7-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-olate (CID 13463978) is 8-ethyl-6-methyl-7-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-olate.
What is the SMILES notation for 8-ethyl-6-methyl-7-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-olate?
The canonical SMILES for 8-ethyl-6-methyl-7-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-olate is CCn1c2[n+](c([O-])c(C)c1=O)CCS2.
What is the InChIKey of 8-ethyl-6-methyl-7-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-olate?
The InChIKey is SGEHPIQFLPPMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-3-10-7(12)6(2)8(13)11-4-5-14-9(10)11/h3-5H2,1-2H3.
What are the key properties of 8-ethyl-6-methyl-7-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-olate?
8-ethyl-6-methyl-7-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-olate has a molecular weight of 212.27 g/mol, XLogP of -0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-methyl-7-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-olate is sourced from PubChem (CID 13463978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).