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

C18H11N3O3S2 — CID 1240272

IUPACN-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide
SMILESO=C1N=c2ccccc2=C1c1sc(=S)n(NC(=O)c2ccccc2)c1O
InChIInChI=1S/C18H11N3O3S2/c22-15(10-6-2-1-3-7-10)20-21-17(24)14(26-18(21)25)13-11-8-4-5-9-12(11)19-16(13)23/h1-9,24H,(H,20,22)
InChIKeyIUSYFTQTNZAMFF-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.73
Rot. Bonds3

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

N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide (PubChem CID 1240272) has the molecular formula C18H11N3O3S2 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide
PubChem CID1240272
Molecular FormulaC18H11N3O3S2
Molecular Weight381.44 g/mol
Exact Mass381.02
IUPAC NameN-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide
SMILESO=C1N=c2ccccc2=C1c1sc(=S)n(NC(=O)c2ccccc2)c1O
InChIInChI=1S/C18H11N3O3S2/c22-15(10-6-2-1-3-7-10)20-21-17(24)14(26-18(21)25)13-11-8-4-5-9-12(11)19-16(13)23/h1-9,24H,(H,20,22)
InChIKeyIUSYFTQTNZAMFF-UHFFFAOYSA-N
XLogP1.73
TPSA83.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.73
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]benzamide?
The IUPAC name of N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide (CID 1240272) is N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide.
What is the SMILES notation for N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide?
The canonical SMILES for N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide is O=C1N=c2ccccc2=C1c1sc(=S)n(NC(=O)c2ccccc2)c1O.
What is the InChIKey of N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide?
The InChIKey is IUSYFTQTNZAMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O3S2/c22-15(10-6-2-1-3-7-10)20-21-17(24)14(26-18(21)25)13-11-8-4-5-9-12(11)19-16(13)23/h1-9,24H,(H,20,22).
What are the key properties of N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide?
N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide has a molecular weight of 381.44 g/mol, XLogP of 1.73, 3 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]benzamide is sourced from PubChem (CID 1240272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).