N-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide

C14H11N3O3S2 — CID 1240191

IUPACN-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide
SMILESCC(=O)Nn1c(O)c(C2=c3cc(C)ccc3=NC2=O)sc1=S
InChIInChI=1S/C14H11N3O3S2/c1-6-3-4-9-8(5-6)10(12(19)15-9)11-13(20)17(14(21)22-11)16-7(2)18/h3-5,20H,1-2H3,(H,16,18)
InChIKeyLJROASSUPMHQMG-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.74
Rot. Bonds2

About N-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide

N-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide (PubChem CID 1240191) has the molecular formula C14H11N3O3S2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide
PubChem CID1240191
Molecular FormulaC14H11N3O3S2
Molecular Weight333.39 g/mol
Exact Mass333.02
IUPAC NameN-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide
SMILESCC(=O)Nn1c(O)c(C2=c3cc(C)ccc3=NC2=O)sc1=S
InChIInChI=1S/C14H11N3O3S2/c1-6-3-4-9-8(5-6)10(12(19)15-9)11-13(20)17(14(21)22-11)16-7(2)18/h3-5,20H,1-2H3,(H,16,18)
InChIKeyLJROASSUPMHQMG-UHFFFAOYSA-N
XLogP0.74
TPSA83.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide?
The IUPAC name of N-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide (CID 1240191) is N-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide.
What is the SMILES notation for N-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide?
The canonical SMILES for N-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide is CC(=O)Nn1c(O)c(C2=c3cc(C)ccc3=NC2=O)sc1=S.
What is the InChIKey of N-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide?
The InChIKey is LJROASSUPMHQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S2/c1-6-3-4-9-8(5-6)10(12(19)15-9)11-13(20)17(14(21)22-11)16-7(2)18/h3-5,20H,1-2H3,(H,16,18).
What are the key properties of N-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide?
N-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide has a molecular weight of 333.39 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-5-(5-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide is sourced from PubChem (CID 1240191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).