1-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea

C15H12ClFN4O2S — CID 7933632

IUPAC1-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea
SMILESC/C(=N/NC(=S)Nc1ccccc1F)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12ClFN4O2S/c1-9(10-6-7-11(16)14(8-10)21(22)23)19-20-15(24)18-13-5-3-2-4-12(13)17/h2-8H,1H3,(H2,18,20,24)/b19-9-
InChIKeyGYDKFLNBKPPYGZ-OCKHKDLRSA-N
MW366.81 g/mol
LogP4.10
Rot. Bonds4

About 1-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea

1-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea (PubChem CID 7933632) has the molecular formula C15H12ClFN4O2S and a molecular weight of 366.81 g/mol. Its IUPAC name is 1-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea.

Molecular Properties

Compound Name1-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea
PubChem CID7933632
Molecular FormulaC15H12ClFN4O2S
Molecular Weight366.81 g/mol
Exact Mass366.04
IUPAC Name1-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea
SMILESC/C(=N/NC(=S)Nc1ccccc1F)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12ClFN4O2S/c1-9(10-6-7-11(16)14(8-10)21(22)23)19-20-15(24)18-13-5-3-2-4-12(13)17/h2-8H,1H3,(H2,18,20,24)/b19-9-
InChIKeyGYDKFLNBKPPYGZ-OCKHKDLRSA-N
XLogP4.10
TPSA79.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 54.10
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-[1-(4-chloro-3-nitrophenyl)ethylideneamino]-3-propan-2-ylthiourea
CID 4041828
2-chloro-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]benzamide
CID 7937156
1-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea
CID 7933653
4-chloro-N-[1-(4-chlorophenyl)ethylideneamino]-3-nitrobenzamide
CID 3407766
N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide
CID 7428724
1-[1-(4-chloro-3-nitrophenyl)ethylideneamino]-3-(oxolan-2-ylmethyl)thiourea
CID 5041687
4-chloro-N-[1-(4-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 905379
1-(2,4-dichlorophenyl)-3-[(E)-1-naphthalen-2-ylethylideneamino]thiourea
CID 7407265
4-chloro-N-[(3-chloro-2-methylphenyl)carbamothioyl]-3-nitrobenzamide
CID 5153818
2-(4-bromophenyl)-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]acetamide
CID 27524668
1-(2,5-dichlorophenyl)-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]thiourea
CID 135443528
3,5,6-trichloro-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]pyridin-2-amine
CID 7987802

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea?
The IUPAC name of 1-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea (CID 7933632) is 1-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea.
What is the SMILES notation for 1-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea?
The canonical SMILES for 1-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea is C/C(=N/NC(=S)Nc1ccccc1F)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 1-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea?
The InChIKey is GYDKFLNBKPPYGZ-OCKHKDLRSA-N. The full InChI is InChI=1S/C15H12ClFN4O2S/c1-9(10-6-7-11(16)14(8-10)21(22)23)19-20-15(24)18-13-5-3-2-4-12(13)17/h2-8H,1H3,(H2,18,20,24)/b19-9-.
What are the key properties of 1-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea?
1-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea has a molecular weight of 366.81 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-3-(2-fluorophenyl)thiourea is sourced from PubChem (CID 7933632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).