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

C11H12ClN3O2S — CID 135150442

IUPAC3-chloro-2-hydroxy-4-methyl-1-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]-2H-pyrrol-5-one
SMILESCC1=C(Cl)C(O)N(c2nc(C3(C)CC3)ns2)C1=O
InChIInChI=1S/C11H12ClN3O2S/c1-5-6(12)8(17)15(7(5)16)10-13-9(14-18-10)11(2)3-4-11/h8,17H,3-4H2,1-2H3
InChIKeyBCKXSBRCAPCIEF-UHFFFAOYSA-N
MW285.76 g/mol
LogP1.77
Rot. Bonds2

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

3-chloro-2-hydroxy-4-methyl-1-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]-2H-pyrrol-5-one (PubChem CID 135150442) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is 3-chloro-2-hydroxy-4-methyl-1-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-chloro-2-hydroxy-4-methyl-1-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]-2H-pyrrol-5-one
PubChem CID135150442
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC Name3-chloro-2-hydroxy-4-methyl-1-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]-2H-pyrrol-5-one
SMILESCC1=C(Cl)C(O)N(c2nc(C3(C)CC3)ns2)C1=O
InChIInChI=1S/C11H12ClN3O2S/c1-5-6(12)8(17)15(7(5)16)10-13-9(14-18-10)11(2)3-4-11/h8,17H,3-4H2,1-2H3
InChIKeyBCKXSBRCAPCIEF-UHFFFAOYSA-N
XLogP1.77
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-hydroxy-4-methyl-1-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]-2H-pyrrol-5-one?
The IUPAC name of 3-chloro-2-hydroxy-4-methyl-1-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]-2H-pyrrol-5-one (CID 135150442) is 3-chloro-2-hydroxy-4-methyl-1-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]-2H-pyrrol-5-one.
What is the SMILES notation for 3-chloro-2-hydroxy-4-methyl-1-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]-2H-pyrrol-5-one?
The canonical SMILES for 3-chloro-2-hydroxy-4-methyl-1-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]-2H-pyrrol-5-one is CC1=C(Cl)C(O)N(c2nc(C3(C)CC3)ns2)C1=O.
What is the InChIKey of 3-chloro-2-hydroxy-4-methyl-1-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]-2H-pyrrol-5-one?
The InChIKey is BCKXSBRCAPCIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/c1-5-6(12)8(17)15(7(5)16)10-13-9(14-18-10)11(2)3-4-11/h8,17H,3-4H2,1-2H3.
What are the key properties of 3-chloro-2-hydroxy-4-methyl-1-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]-2H-pyrrol-5-one?
3-chloro-2-hydroxy-4-methyl-1-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]-2H-pyrrol-5-one has a molecular weight of 285.76 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-hydroxy-4-methyl-1-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]-2H-pyrrol-5-one is sourced from PubChem (CID 135150442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).