1-(2,1,3-benzothiadiazol-5-yl)-3-[(Z)-(2-methoxyphenyl)methylideneamino]urea

C15H13N5O2S — CID 27018091

IUPAC1-(2,1,3-benzothiadiazol-5-yl)-3-[(Z)-(2-methoxyphenyl)methylideneamino]urea
SMILESCOc1ccccc1/C=N\NC(=O)Nc1ccc2nsnc2c1
InChIInChI=1S/C15H13N5O2S/c1-22-14-5-3-2-4-10(14)9-16-18-15(21)17-11-6-7-12-13(8-11)20-23-19-12/h2-9H,1H3,(H2,17,18,21)/b16-9-
InChIKeyCIHADROWAQJAAO-SXGWCWSVSA-N
MW327.37 g/mol
LogP2.86
Rot. Bonds4

About 1-(2,1,3-benzothiadiazol-5-yl)-3-[(Z)-(2-methoxyphenyl)methylideneamino]urea

1-(2,1,3-benzothiadiazol-5-yl)-3-[(Z)-(2-methoxyphenyl)methylideneamino]urea (PubChem CID 27018091) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is 1-(2,1,3-benzothiadiazol-5-yl)-3-[(Z)-(2-methoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-(2,1,3-benzothiadiazol-5-yl)-3-[(Z)-(2-methoxyphenyl)methylideneamino]urea
PubChem CID27018091
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC Name1-(2,1,3-benzothiadiazol-5-yl)-3-[(Z)-(2-methoxyphenyl)methylideneamino]urea
SMILESCOc1ccccc1/C=N\NC(=O)Nc1ccc2nsnc2c1
InChIInChI=1S/C15H13N5O2S/c1-22-14-5-3-2-4-10(14)9-16-18-15(21)17-11-6-7-12-13(8-11)20-23-19-12/h2-9H,1H3,(H2,17,18,21)/b16-9-
InChIKeyCIHADROWAQJAAO-SXGWCWSVSA-N
XLogP2.86
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
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'}

Analyze 1-(2,1,3-benzothiadiazol-5-yl)-3-[(Z)-(2-methoxyphenyl)methylideneamino]urea with MolForge

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

Launch Full Analysis

Related Compounds

1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 792835
1-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 5407236
N-(3,4-dimethylphenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
CID 4659144
1-(4-chlorophenyl)-3-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]urea
CID 110536875
3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5427560
N-(2-methoxyphenyl)-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 2250526
1-(3-chlorophenyl)-3-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]urea
CID 110534842
1-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]-3-phenylurea
CID 3318003
[2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
CID 54609722
1-(3-bromophenyl)-3-[(E)-(3-methoxy-2-propan-2-yloxyphenyl)methylideneamino]urea
CID 126027268
1-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(3-chlorophenyl)urea
CID 110533512
3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 913510

Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzothiadiazol-5-yl)-3-[(Z)-(2-methoxyphenyl)methylideneamino]urea?
The IUPAC name of 1-(2,1,3-benzothiadiazol-5-yl)-3-[(Z)-(2-methoxyphenyl)methylideneamino]urea (CID 27018091) is 1-(2,1,3-benzothiadiazol-5-yl)-3-[(Z)-(2-methoxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1-(2,1,3-benzothiadiazol-5-yl)-3-[(Z)-(2-methoxyphenyl)methylideneamino]urea?
The canonical SMILES for 1-(2,1,3-benzothiadiazol-5-yl)-3-[(Z)-(2-methoxyphenyl)methylideneamino]urea is COc1ccccc1/C=N\NC(=O)Nc1ccc2nsnc2c1.
What is the InChIKey of 1-(2,1,3-benzothiadiazol-5-yl)-3-[(Z)-(2-methoxyphenyl)methylideneamino]urea?
The InChIKey is CIHADROWAQJAAO-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H13N5O2S/c1-22-14-5-3-2-4-10(14)9-16-18-15(21)17-11-6-7-12-13(8-11)20-23-19-12/h2-9H,1H3,(H2,17,18,21)/b16-9-.
What are the key properties of 1-(2,1,3-benzothiadiazol-5-yl)-3-[(Z)-(2-methoxyphenyl)methylideneamino]urea?
1-(2,1,3-benzothiadiazol-5-yl)-3-[(Z)-(2-methoxyphenyl)methylideneamino]urea has a molecular weight of 327.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1,3-benzothiadiazol-5-yl)-3-[(Z)-(2-methoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 27018091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).