N'-benzoyl-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide

C19H17N3O4S — CID 36716067

IUPACN'-benzoyl-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
SMILESCOc1cccc(-c2nc(C(=O)NNC(=O)c3ccccc3)cs2)c1OC
InChIInChI=1S/C19H17N3O4S/c1-25-15-10-6-9-13(16(15)26-2)19-20-14(11-27-19)18(24)22-21-17(23)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,21,23)(H,22,24)
InChIKeySVRHPXMZOZPZPE-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.90
Rot. Bonds5

About N'-benzoyl-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide

N'-benzoyl-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 36716067) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is N'-benzoyl-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
PubChem CID36716067
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC NameN'-benzoyl-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
SMILESCOc1cccc(-c2nc(C(=O)NNC(=O)c3ccccc3)cs2)c1OC
InChIInChI=1S/C19H17N3O4S/c1-25-15-10-6-9-13(16(15)26-2)19-20-14(11-27-19)18(24)22-21-17(23)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,21,23)(H,22,24)
InChIKeySVRHPXMZOZPZPE-UHFFFAOYSA-N
XLogP2.90
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dimethoxyphenyl)-N-methylsulfonyl-1,3-thiazole-4-carboxamide
CID 146154055
2-(2,3-dimethoxyphenyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 46560358
2-(2,3-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 24671897
N-(5-chloro-2-methylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 36751297
2-(2,3-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 24671896
2-(2,3-dimethoxyphenyl)-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide
CID 42945606
2-(2,3-dimethoxyphenyl)-N-(2,3-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 46550031
N-benzyl-2-(2,3-dimethoxyphenyl)-N-propyl-1,3-thiazole-4-carboxamide
CID 46553417
N-[1-(3,4-difluorophenyl)ethyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46551536
2-(2,3-dimethoxyphenyl)-N-(1-propylbenzimidazol-2-yl)-1,3-thiazole-4-carboxamide
CID 36717326
N-butyl-2-(2,3-dimethoxyphenyl)-N-phenyl-1,3-thiazole-4-carboxamide
CID 24672160
2-(2,3-dimethoxyphenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 24672391

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-benzoyl-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide (CID 36716067) is N'-benzoyl-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-benzoyl-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-benzoyl-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide is COc1cccc(-c2nc(C(=O)NNC(=O)c3ccccc3)cs2)c1OC.
What is the InChIKey of N'-benzoyl-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is SVRHPXMZOZPZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-25-15-10-6-9-13(16(15)26-2)19-20-14(11-27-19)18(24)22-21-17(23)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-benzoyl-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide?
N'-benzoyl-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 383.43 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 36716067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).