4-chloro-N-[4-hydroxy-5-(7-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide

C19H12ClN3O3S2 — CID 135597815

IUPAC4-chloro-N-[4-hydroxy-5-(7-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide
SMILESCc1cccc2c1=NC(=O)C=2c1sc(=S)n(NC(=O)c2ccc(Cl)cc2)c1O
InChIInChI=1S/C19H12ClN3O3S2/c1-9-3-2-4-12-13(17(25)21-14(9)12)15-18(26)23(19(27)28-15)22-16(24)10-5-7-11(20)8-6-10/h2-8,26H,1H3,(H,22,24)
InChIKeyGHRBNNCAOAXLAH-UHFFFAOYSA-N
MW429.91 g/mol
LogP2.69
Rot. Bonds3

About 4-chloro-N-[4-hydroxy-5-(7-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide

4-chloro-N-[4-hydroxy-5-(7-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide (PubChem CID 135597815) has the molecular formula C19H12ClN3O3S2 and a molecular weight of 429.91 g/mol. Its IUPAC name is 4-chloro-N-[4-hydroxy-5-(7-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-hydroxy-5-(7-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide
PubChem CID135597815
Molecular FormulaC19H12ClN3O3S2
Molecular Weight429.91 g/mol
Exact Mass429.00
IUPAC Name4-chloro-N-[4-hydroxy-5-(7-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide
SMILESCc1cccc2c1=NC(=O)C=2c1sc(=S)n(NC(=O)c2ccc(Cl)cc2)c1O
InChIInChI=1S/C19H12ClN3O3S2/c1-9-3-2-4-12-13(17(25)21-14(9)12)15-18(26)23(19(27)28-15)22-16(24)10-5-7-11(20)8-6-10/h2-8,26H,1H3,(H,22,24)
InChIKeyGHRBNNCAOAXLAH-UHFFFAOYSA-N
XLogP2.69
TPSA83.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.91
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[4-hydroxy-5-(7-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-hydroxy-5-(7-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[4-hydroxy-5-(7-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide (CID 135597815) is 4-chloro-N-[4-hydroxy-5-(7-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-hydroxy-5-(7-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[4-hydroxy-5-(7-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide is Cc1cccc2c1=NC(=O)C=2c1sc(=S)n(NC(=O)c2ccc(Cl)cc2)c1O.
What is the InChIKey of 4-chloro-N-[4-hydroxy-5-(7-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide?
The InChIKey is GHRBNNCAOAXLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O3S2/c1-9-3-2-4-12-13(17(25)21-14(9)12)15-18(26)23(19(27)28-15)22-16(24)10-5-7-11(20)8-6-10/h2-8,26H,1H3,(H,22,24).
What are the key properties of 4-chloro-N-[4-hydroxy-5-(7-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide?
4-chloro-N-[4-hydroxy-5-(7-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide has a molecular weight of 429.91 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-hydroxy-5-(7-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide is sourced from PubChem (CID 135597815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).