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

C19H13N3O3S2 — CID 1349835

IUPACN-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nn1c(O)c(C2=c3ccccc3=NC2=O)sc1=S
InChIInChI=1S/C19H13N3O3S2/c23-14(10-11-6-2-1-3-7-11)21-22-18(25)16(27-19(22)26)15-12-8-4-5-9-13(12)20-17(15)24/h1-9,25H,10H2,(H,21,23)
InChIKeyIEQCNFKEJADQEU-UHFFFAOYSA-N
MW395.47 g/mol
LogP1.66
Rot. Bonds4

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

N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetamide (PubChem CID 1349835) has the molecular formula C19H13N3O3S2 and a molecular weight of 395.47 g/mol. Its IUPAC name is N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetamide
PubChem CID1349835
Molecular FormulaC19H13N3O3S2
Molecular Weight395.47 g/mol
Exact Mass395.04
IUPAC NameN-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nn1c(O)c(C2=c3ccccc3=NC2=O)sc1=S
InChIInChI=1S/C19H13N3O3S2/c23-14(10-11-6-2-1-3-7-11)21-22-18(25)16(27-19(22)26)15-12-8-4-5-9-13(12)20-17(15)24/h1-9,25H,10H2,(H,21,23)
InChIKeyIEQCNFKEJADQEU-UHFFFAOYSA-N
XLogP1.66
TPSA83.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.66
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-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetamide?
The IUPAC name of N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetamide (CID 1349835) is N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nn1c(O)c(C2=c3ccccc3=NC2=O)sc1=S.
What is the InChIKey of N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetamide?
The InChIKey is IEQCNFKEJADQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3S2/c23-14(10-11-6-2-1-3-7-11)21-22-18(25)16(27-19(22)26)15-12-8-4-5-9-13(12)20-17(15)24/h1-9,25H,10H2,(H,21,23).
What are the key properties of N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetamide?
N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetamide has a molecular weight of 395.47 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetamide is sourced from PubChem (CID 1349835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).