2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C7H7N3OS — CID 602171

IUPAC2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SMILESCCc1nn2ccc(=O)nc2s1
InChIInChI=1S/C7H7N3OS/c1-2-6-9-10-4-3-5(11)8-7(10)12-6/h3-4H,2H2,1H3
InChIKeyOFLCNTMWHRBBHG-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.71
Rot. Bonds1

About 2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (PubChem CID 602171) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is 2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
PubChem CID602171
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SMILESCCc1nn2ccc(=O)nc2s1
InChIInChI=1S/C7H7N3OS/c1-2-6-9-10-4-3-5(11)8-7(10)12-6/h3-4H,2H2,1H3
InChIKeyOFLCNTMWHRBBHG-UHFFFAOYSA-N
XLogP0.71
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-bromophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
CID 703338
2-ethyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209390
2-ethyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 12509206
6-(1,3-dimethylpyrazol-4-yl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646225
2-ethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209802
6-chloro-3-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)chromen-2-one
CID 56964291
2-ethyl-6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 107646243
2-ethyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 16644191
3-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzonitrile
CID 107646385
6-(2,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646364
(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-pyrrol-1-ylbenzoate
CID 7632649
6-(4-chlorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209415

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of 2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CID 602171) is 2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for 2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for 2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is CCc1nn2ccc(=O)nc2s1.
What is the InChIKey of 2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The InChIKey is OFLCNTMWHRBBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c1-2-6-9-10-4-3-5(11)8-7(10)12-6/h3-4H,2H2,1H3.
What are the key properties of 2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one has a molecular weight of 181.22 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 602171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).