3-chloro-4-ethyl-2-hydroxy-1-(1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one

C8H8ClN3O2S — CID 135164408

IUPAC3-chloro-4-ethyl-2-hydroxy-1-(1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one
SMILESCCC1=C(Cl)C(O)N(c2ncns2)C1=O
InChIInChI=1S/C8H8ClN3O2S/c1-2-4-5(9)7(14)12(6(4)13)8-10-3-11-15-8/h3,7,14H,2H2,1H3
InChIKeyUMNSUGHBLLUUFA-UHFFFAOYSA-N
MW245.69 g/mol
LogP1.11
Rot. Bonds2

About 3-chloro-4-ethyl-2-hydroxy-1-(1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one

3-chloro-4-ethyl-2-hydroxy-1-(1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one (PubChem CID 135164408) has the molecular formula C8H8ClN3O2S and a molecular weight of 245.69 g/mol. Its IUPAC name is 3-chloro-4-ethyl-2-hydroxy-1-(1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-chloro-4-ethyl-2-hydroxy-1-(1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one
PubChem CID135164408
Molecular FormulaC8H8ClN3O2S
Molecular Weight245.69 g/mol
Exact Mass245.00
IUPAC Name3-chloro-4-ethyl-2-hydroxy-1-(1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one
SMILESCCC1=C(Cl)C(O)N(c2ncns2)C1=O
InChIInChI=1S/C8H8ClN3O2S/c1-2-4-5(9)7(14)12(6(4)13)8-10-3-11-15-8/h3,7,14H,2H2,1H3
InChIKeyUMNSUGHBLLUUFA-UHFFFAOYSA-N
XLogP1.11
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.69
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethyl-2-hydroxy-1-(1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one?
The IUPAC name of 3-chloro-4-ethyl-2-hydroxy-1-(1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one (CID 135164408) is 3-chloro-4-ethyl-2-hydroxy-1-(1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-chloro-4-ethyl-2-hydroxy-1-(1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one?
The canonical SMILES for 3-chloro-4-ethyl-2-hydroxy-1-(1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one is CCC1=C(Cl)C(O)N(c2ncns2)C1=O.
What is the InChIKey of 3-chloro-4-ethyl-2-hydroxy-1-(1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one?
The InChIKey is UMNSUGHBLLUUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O2S/c1-2-4-5(9)7(14)12(6(4)13)8-10-3-11-15-8/h3,7,14H,2H2,1H3.
What are the key properties of 3-chloro-4-ethyl-2-hydroxy-1-(1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one?
3-chloro-4-ethyl-2-hydroxy-1-(1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one has a molecular weight of 245.69 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethyl-2-hydroxy-1-(1,2,4-thiadiazol-5-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 135164408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).