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

C19H13N3O3S2 — CID 1284235

IUPACN-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nn1c(O)c(C2=c3ccccc3=NC2=O)sc1=S
InChIInChI=1S/C19H13N3O3S2/c1-10-6-2-3-7-11(10)16(23)21-22-18(25)15(27-19(22)26)14-12-8-4-5-9-13(12)20-17(14)24/h2-9,25H,1H3,(H,21,23)
InChIKeyVVLBRHZZQSUCJA-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]-2-methylbenzamide

N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-methylbenzamide (PubChem CID 1284235) 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-methylbenzamide.

Molecular Properties

Compound NameN-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-methylbenzamide
PubChem CID1284235
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-methylbenzamide
SMILESCc1ccccc1C(=O)Nn1c(O)c(C2=c3ccccc3=NC2=O)sc1=S
InChIInChI=1S/C19H13N3O3S2/c1-10-6-2-3-7-11(10)16(23)21-22-18(25)15(27-19(22)26)14-12-8-4-5-9-13(12)20-17(14)24/h2-9,25H,1H3,(H,21,23)
InChIKeyVVLBRHZZQSUCJA-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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Related Compounds

N-[(5Z)-4-oxo-5-(2-oxo-1H-indol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 1240272
N-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 1864014
N-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-chlorobenzamide
CID 1940488
N-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-chlorobenzamide
CID 1843993
(Z)-N-(5-((1H-benzo[d]imidazol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-4-methylbenzamide
CID 1951250
(Z)-N-(5-(5-bromo-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide
CID 1388593
N-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-fluorobenzamide
CID 1975583
N-[5-(5-fluoro-2-oxo(1H-benzo[d]azolin-3-ylidene))-4-oxo-2-thioxo(1,3-thiazoli din-3-yl)]-2-phenylacetamide
CID 4515432
N-[5-(benzimidazol-2-ylmethylene)-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)](2-fluo rophenyl)carboxamide
CID 4762626
4-bromo-N-[5-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide
CID 1206085
(Z)-N-(4-oxo-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-3-yl)-2-phenylacetamide
CID 1349835
4-methyl-N-[(5Z)-4-oxo-5-(2-oxo-1H-indol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 1358848

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-methylbenzamide?
The IUPAC name of N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-methylbenzamide (CID 1284235) is N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-methylbenzamide?
The canonical SMILES for N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-methylbenzamide is Cc1ccccc1C(=O)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-methylbenzamide?
The InChIKey is VVLBRHZZQSUCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3S2/c1-10-6-2-3-7-11(10)16(23)21-22-18(25)15(27-19(22)26)14-12-8-4-5-9-13(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]-2-methylbenzamide?
N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-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]-2-methylbenzamide is sourced from PubChem (CID 1284235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).