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

C19H12ClN3O3S2 — CID 135597812

IUPAC3-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)c2cccc(Cl)c2)c1O
InChIInChI=1S/C19H12ClN3O3S2/c1-9-4-2-7-12-13(17(25)21-14(9)12)15-18(26)23(19(27)28-15)22-16(24)10-5-3-6-11(20)8-10/h2-8,26H,1H3,(H,22,24)
InChIKeyFUTYSULQZLWAPO-UHFFFAOYSA-N
MW429.91 g/mol
LogP2.69
Rot. Bonds3

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

3-chloro-N-[4-hydroxy-5-(7-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide (PubChem CID 135597812) has the molecular formula C19H12ClN3O3S2 and a molecular weight of 429.91 g/mol. Its IUPAC name is 3-chloro-N-[4-hydroxy-5-(7-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-hydroxy-5-(7-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide
PubChem CID135597812
Molecular FormulaC19H12ClN3O3S2
Molecular Weight429.91 g/mol
Exact Mass429.00
IUPAC Name3-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)c2cccc(Cl)c2)c1O
InChIInChI=1S/C19H12ClN3O3S2/c1-9-4-2-7-12-13(17(25)21-14(9)12)15-18(26)23(19(27)28-15)22-16(24)10-5-3-6-11(20)8-10/h2-8,26H,1H3,(H,22,24)
InChIKeyFUTYSULQZLWAPO-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'}

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Related Compounds

3-chloro-N-(4-methylphenyl)benzamide
CID 722375
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-3-chlorobenzamide
CID 42730580
N'-(3-chlorobenzoyl)-2,4-dimethylbenzohydrazide
CID 7601300
N-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-3-chlorobenzamide
CID 42730542
3-chloro-N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23909571
3-chloro-N-pyrrolidin-1-ylbenzamide
CID 54164805
N'-(3-chlorobenzoyl)-3,4-dimethylbenzohydrazide
CID 7918365
N-[[4-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-2-methylbenzamide
CID 4629267
3-chloro-N-(2-methylquinolin-4-yl)benzamide
CID 4298030
3-chloro-N-[(2,4-dimethylphenyl)carbamothioyl]benzamide
CID 881340
3-chloro-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
CID 7207716
N-[3-(3-chlorophenyl)-5-(3-methylphenyl)-7-oxo-1H-pyrazolo[5,4-c]pyridin-6-yl]-3-methylbenzamide
CID 142699499

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-hydroxy-5-(7-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide?
The IUPAC name of 3-chloro-N-[4-hydroxy-5-(7-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide (CID 135597812) is 3-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 3-chloro-N-[4-hydroxy-5-(7-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide?
The canonical SMILES for 3-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)c2cccc(Cl)c2)c1O.
What is the InChIKey of 3-chloro-N-[4-hydroxy-5-(7-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide?
The InChIKey is FUTYSULQZLWAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O3S2/c1-9-4-2-7-12-13(17(25)21-14(9)12)15-18(26)23(19(27)28-15)22-16(24)10-5-3-6-11(20)8-10/h2-8,26H,1H3,(H,22,24).
What are the key properties of 3-chloro-N-[4-hydroxy-5-(7-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide?
3-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 3-chloro-N-[4-hydroxy-5-(7-methyl-2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzamide is sourced from PubChem (CID 135597812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).