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

C10H10ClN3O2S — CID 135150716

IUPAC4-chloro-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3-methyl-2H-pyrrol-5-one
SMILESCC1=C(Cl)C(=O)N(c2nc(C3CC3)ns2)C1O
InChIInChI=1S/C10H10ClN3O2S/c1-4-6(11)9(16)14(8(4)15)10-12-7(13-17-10)5-2-3-5/h5,8,15H,2-3H2,1H3
InChIKeyZEJGAFZGMRXKRE-UHFFFAOYSA-N
MW271.73 g/mol
LogP1.59
Rot. Bonds2

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

4-chloro-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3-methyl-2H-pyrrol-5-one (PubChem CID 135150716) has the molecular formula C10H10ClN3O2S and a molecular weight of 271.73 g/mol. Its IUPAC name is 4-chloro-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-chloro-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3-methyl-2H-pyrrol-5-one
PubChem CID135150716
Molecular FormulaC10H10ClN3O2S
Molecular Weight271.73 g/mol
Exact Mass271.02
IUPAC Name4-chloro-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3-methyl-2H-pyrrol-5-one
SMILESCC1=C(Cl)C(=O)N(c2nc(C3CC3)ns2)C1O
InChIInChI=1S/C10H10ClN3O2S/c1-4-6(11)9(16)14(8(4)15)10-12-7(13-17-10)5-2-3-5/h5,8,15H,2-3H2,1H3
InChIKeyZEJGAFZGMRXKRE-UHFFFAOYSA-N
XLogP1.59
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3-methyl-2H-pyrrol-5-one?
The IUPAC name of 4-chloro-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3-methyl-2H-pyrrol-5-one (CID 135150716) is 4-chloro-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-chloro-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3-methyl-2H-pyrrol-5-one?
The canonical SMILES for 4-chloro-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3-methyl-2H-pyrrol-5-one is CC1=C(Cl)C(=O)N(c2nc(C3CC3)ns2)C1O.
What is the InChIKey of 4-chloro-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3-methyl-2H-pyrrol-5-one?
The InChIKey is ZEJGAFZGMRXKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S/c1-4-6(11)9(16)14(8(4)15)10-12-7(13-17-10)5-2-3-5/h5,8,15H,2-3H2,1H3.
What are the key properties of 4-chloro-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3-methyl-2H-pyrrol-5-one?
4-chloro-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3-methyl-2H-pyrrol-5-one has a molecular weight of 271.73 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-hydroxy-3-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 135150716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).