1-(2-nitrophenyl)-3-[(Z)-(4-phenylphenyl)methylideneamino]thiourea

C20H16N4O2S — CID 7934346

IUPAC1-(2-nitrophenyl)-3-[(Z)-(4-phenylphenyl)methylideneamino]thiourea
SMILESO=[N+]([O-])c1ccccc1NC(=S)N/N=C\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H16N4O2S/c25-24(26)19-9-5-4-8-18(19)22-20(27)23-21-14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-14H,(H2,22,23,27)/b21-14-
InChIKeyCIINFVKBWMSHDH-STZFKDTASA-N
MW376.44 g/mol
LogP4.58
Rot. Bonds5

About 1-(2-nitrophenyl)-3-[(Z)-(4-phenylphenyl)methylideneamino]thiourea

1-(2-nitrophenyl)-3-[(Z)-(4-phenylphenyl)methylideneamino]thiourea (PubChem CID 7934346) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 1-(2-nitrophenyl)-3-[(Z)-(4-phenylphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name1-(2-nitrophenyl)-3-[(Z)-(4-phenylphenyl)methylideneamino]thiourea
PubChem CID7934346
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name1-(2-nitrophenyl)-3-[(Z)-(4-phenylphenyl)methylideneamino]thiourea
SMILESO=[N+]([O-])c1ccccc1NC(=S)N/N=C\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H16N4O2S/c25-24(26)19-9-5-4-8-18(19)22-20(27)23-21-14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-14H,(H2,22,23,27)/b21-14-
InChIKeyCIINFVKBWMSHDH-STZFKDTASA-N
XLogP4.58
TPSA79.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-(4-tert-butylphenyl)methylideneamino]-3-(2-nitrophenyl)thiourea
CID 6010282
1-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-(2-nitrophenyl)thiourea
CID 7934361
1-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-(2-nitrophenyl)thiourea
CID 4525471
1-[(E)-(4-nitrophenyl)methylideneamino]-3-phenylthiourea
CID 6864430
1-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-(2-methylphenyl)thiourea
CID 135731002
1-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-(2-nitrophenyl)thiourea
CID 135689879
1-(2-nitrophenyl)-3-[(Z)-(2,4,6-trimethoxyphenyl)methylideneamino]thiourea
CID 7934371
1-(4-methylphenyl)-3-[(2-nitrophenyl)methylideneamino]thiourea
CID 777040
1-[(Z)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-3-(2-nitrophenyl)thiourea
CID 7934281
2-nitro-N-[(E)-[4-[(E)-[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 6870006
1-(4-aminophenyl)-3-(2-nitrophenyl)thiourea
CID 87226985
[(E)-(4-phenylphenyl)methylideneamino]thiourea;hydrate
CID 139078865

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)-3-[(Z)-(4-phenylphenyl)methylideneamino]thiourea?
The IUPAC name of 1-(2-nitrophenyl)-3-[(Z)-(4-phenylphenyl)methylideneamino]thiourea (CID 7934346) is 1-(2-nitrophenyl)-3-[(Z)-(4-phenylphenyl)methylideneamino]thiourea.
What is the SMILES notation for 1-(2-nitrophenyl)-3-[(Z)-(4-phenylphenyl)methylideneamino]thiourea?
The canonical SMILES for 1-(2-nitrophenyl)-3-[(Z)-(4-phenylphenyl)methylideneamino]thiourea is O=[N+]([O-])c1ccccc1NC(=S)N/N=C\c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(2-nitrophenyl)-3-[(Z)-(4-phenylphenyl)methylideneamino]thiourea?
The InChIKey is CIINFVKBWMSHDH-STZFKDTASA-N. The full InChI is InChI=1S/C20H16N4O2S/c25-24(26)19-9-5-4-8-18(19)22-20(27)23-21-14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-14H,(H2,22,23,27)/b21-14-.
What are the key properties of 1-(2-nitrophenyl)-3-[(Z)-(4-phenylphenyl)methylideneamino]thiourea?
1-(2-nitrophenyl)-3-[(Z)-(4-phenylphenyl)methylideneamino]thiourea has a molecular weight of 376.44 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)-3-[(Z)-(4-phenylphenyl)methylideneamino]thiourea is sourced from PubChem (CID 7934346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).