5-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one

C20H18N4O2S — CID 9419907

IUPAC5-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one
SMILESCOc1ccc(/C=N\Nc2nc(-c3ccc4c(c3)CC(=O)N4C)cs2)cc1
InChIInChI=1S/C20H18N4O2S/c1-24-18-8-5-14(9-15(18)10-19(24)25)17-12-27-20(22-17)23-21-11-13-3-6-16(26-2)7-4-13/h3-9,11-12H,10H2,1-2H3,(H,22,23)/b21-11-
InChIKeySBWLEFIENWUUMM-NHDPSOOVSA-N
MW378.46 g/mol
LogP3.78
Rot. Bonds5

About 5-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one

5-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one (PubChem CID 9419907) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 5-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one
PubChem CID9419907
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name5-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one
SMILESCOc1ccc(/C=N\Nc2nc(-c3ccc4c(c3)CC(=O)N4C)cs2)cc1
InChIInChI=1S/C20H18N4O2S/c1-24-18-8-5-14(9-15(18)10-19(24)25)17-12-27-20(22-17)23-21-11-13-3-6-16(26-2)7-4-13/h3-9,11-12H,10H2,1-2H3,(H,22,23)/b21-11-
InChIKeySBWLEFIENWUUMM-NHDPSOOVSA-N
XLogP3.78
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135754061
4-(3-methoxyphenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110537463
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 6308548
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 5230090
4-(4-methoxyphenyl)-N-[(Z)-(4-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110534560
N-[(Z)-(4-butoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533621
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 6276598
N-[4-[2-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide
CID 3674330
[4-[[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 3867217
4-(3-methoxyphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110536570
4-(2-methoxyphenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 8878425
[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 73384910

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one (CID 9419907) is 5-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one is COc1ccc(/C=N\Nc2nc(-c3ccc4c(c3)CC(=O)N4C)cs2)cc1.
What is the InChIKey of 5-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one?
The InChIKey is SBWLEFIENWUUMM-NHDPSOOVSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-24-18-8-5-14(9-15(18)10-19(24)25)17-12-27-20(22-17)23-21-11-13-3-6-16(26-2)7-4-13/h3-9,11-12H,10H2,1-2H3,(H,22,23)/b21-11-.
What are the key properties of 5-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one?
5-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one has a molecular weight of 378.46 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 9419907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).