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

C19H13N3O3S2 — CID 1358848

IUPACN-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nn2c(O)c(C3=c4ccccc4=NC3=O)sc2=S)cc1
InChIInChI=1S/C19H13N3O3S2/c1-10-6-8-11(9-7-10)16(23)21-22-18(25)15(27-19(22)26)14-12-4-2-3-5-13(12)20-17(14)24/h2-9,25H,1H3,(H,21,23)
InChIKeyFFGSUEZUHFTZTD-UHFFFAOYSA-N
MW395.47 g/mol
LogP2.04
Rot. Bonds3

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

N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-4-methylbenzamide (PubChem CID 1358848) 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]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-4-methylbenzamide
PubChem CID1358848
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]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nn2c(O)c(C3=c4ccccc4=NC3=O)sc2=S)cc1
InChIInChI=1S/C19H13N3O3S2/c1-10-6-8-11(9-7-10)16(23)21-22-18(25)15(27-19(22)26)14-12-4-2-3-5-13(12)20-17(14)24/h2-9,25H,1H3,(H,21,23)
InChIKeyFFGSUEZUHFTZTD-UHFFFAOYSA-N
XLogP2.04
TPSA83.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 52.04
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]-4-methylbenzamide?
The IUPAC name of N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-4-methylbenzamide (CID 1358848) is N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-4-methylbenzamide.
What is the SMILES notation for N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-4-methylbenzamide?
The canonical SMILES for N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nn2c(O)c(C3=c4ccccc4=NC3=O)sc2=S)cc1.
What is the InChIKey of N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-4-methylbenzamide?
The InChIKey is FFGSUEZUHFTZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3S2/c1-10-6-8-11(9-7-10)16(23)21-22-18(25)15(27-19(22)26)14-12-4-2-3-5-13(12)20-17(14)24/h2-9,25H,1H3,(H,21,23).
What are the key properties of N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-4-methylbenzamide?
N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-4-methylbenzamide has a molecular weight of 395.47 g/mol, XLogP of 2.04, 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]-4-methylbenzamide is sourced from PubChem (CID 1358848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).