[(Z)-1-(4-cyanophenyl)ethylideneamino]thiourea

C10H10N4S — CID 23024449

IUPAC[(Z)-1-(4-cyanophenyl)ethylideneamino]thiourea
SMILESC/C(=N/NC(N)=S)c1ccc(C#N)cc1
InChIInChI=1S/C10H10N4S/c1-7(13-14-10(12)15)9-4-2-8(6-11)3-5-9/h2-5H,1H3,(H3,12,14,15)/b13-7-
InChIKeySTKPDQOBQODGMW-QPEQYQDCSA-N
MW218.28 g/mol
LogP1.12
Rot. Bonds2

About [(Z)-1-(4-cyanophenyl)ethylideneamino]thiourea

[(Z)-1-(4-cyanophenyl)ethylideneamino]thiourea (PubChem CID 23024449) has the molecular formula C10H10N4S and a molecular weight of 218.28 g/mol. Its IUPAC name is [(Z)-1-(4-cyanophenyl)ethylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-1-(4-cyanophenyl)ethylideneamino]thiourea
PubChem CID23024449
Molecular FormulaC10H10N4S
Molecular Weight218.28 g/mol
Exact Mass218.06
IUPAC Name[(Z)-1-(4-cyanophenyl)ethylideneamino]thiourea
SMILESC/C(=N/NC(N)=S)c1ccc(C#N)cc1
InChIInChI=1S/C10H10N4S/c1-7(13-14-10(12)15)9-4-2-8(6-11)3-5-9/h2-5H,1H3,(H3,12,14,15)/b13-7-
InChIKeySTKPDQOBQODGMW-QPEQYQDCSA-N
XLogP1.12
TPSA74.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-cyanophenyl)ethylideneamino]-3-methylthiourea
CID 4536463
[(E)-1-[4-[(E)-N-(1-aminoethenylamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]thiourea
CID 166735098
[(Z)-1-(4-iodophenyl)ethylideneamino]thiourea
CID 103600904
[(E)-1-(4-fluorophenyl)ethylideneamino]thiourea
CID 5397680
(1-phenylethylideneamino)thiourea
CID 912962
[(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea
CID 5392292
methyl N-[(E)-1-(4-cyanophenyl)ethylideneamino]carbamate
CID 18526403
[1-(4-ethylphenyl)ethylideneamino]thiourea
CID 3004060
[(E)-1-(4-anilinophenyl)ethylideneamino]thiourea
CID 11737693
[1-(4-propoxyphenyl)ethylideneamino]thiourea
CID 4529421
1-[1-(4-cyanophenyl)ethylideneamino]-3-(3,4-dichlorophenyl)thiourea
CID 3422208
2-chloro-N-[1-(4-cyanophenyl)ethylideneamino]benzamide
CID 5254182

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(4-cyanophenyl)ethylideneamino]thiourea?
The IUPAC name of [(Z)-1-(4-cyanophenyl)ethylideneamino]thiourea (CID 23024449) is [(Z)-1-(4-cyanophenyl)ethylideneamino]thiourea.
What is the SMILES notation for [(Z)-1-(4-cyanophenyl)ethylideneamino]thiourea?
The canonical SMILES for [(Z)-1-(4-cyanophenyl)ethylideneamino]thiourea is C/C(=N/NC(N)=S)c1ccc(C#N)cc1.
What is the InChIKey of [(Z)-1-(4-cyanophenyl)ethylideneamino]thiourea?
The InChIKey is STKPDQOBQODGMW-QPEQYQDCSA-N. The full InChI is InChI=1S/C10H10N4S/c1-7(13-14-10(12)15)9-4-2-8(6-11)3-5-9/h2-5H,1H3,(H3,12,14,15)/b13-7-.
What are the key properties of [(Z)-1-(4-cyanophenyl)ethylideneamino]thiourea?
[(Z)-1-(4-cyanophenyl)ethylideneamino]thiourea has a molecular weight of 218.28 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(4-cyanophenyl)ethylideneamino]thiourea is sourced from PubChem (CID 23024449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).