[(Z)-(1-phenyl-2,3-dihydroquinolin-4-ylidene)amino]thiourea

C16H16N4S — CID 102009918

IUPAC[(Z)-(1-phenyl-2,3-dihydroquinolin-4-ylidene)amino]thiourea
SMILESNC(=S)N/N=C1/CCN(c2ccccc2)c2ccccc21
InChIInChI=1S/C16H16N4S/c17-16(21)19-18-14-10-11-20(12-6-2-1-3-7-12)15-9-5-4-8-13(14)15/h1-9H,10-11H2,(H3,17,19,21)/b18-14-
InChIKeyUYRYWSWWLXAJOC-JXAWBTAJSA-N
MW296.40 g/mol
LogP2.77
Rot. Bonds2

About [(Z)-(1-phenyl-2,3-dihydroquinolin-4-ylidene)amino]thiourea

[(Z)-(1-phenyl-2,3-dihydroquinolin-4-ylidene)amino]thiourea (PubChem CID 102009918) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is [(Z)-(1-phenyl-2,3-dihydroquinolin-4-ylidene)amino]thiourea.

Molecular Properties

Compound Name[(Z)-(1-phenyl-2,3-dihydroquinolin-4-ylidene)amino]thiourea
PubChem CID102009918
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC Name[(Z)-(1-phenyl-2,3-dihydroquinolin-4-ylidene)amino]thiourea
SMILESNC(=S)N/N=C1/CCN(c2ccccc2)c2ccccc21
InChIInChI=1S/C16H16N4S/c17-16(21)19-18-14-10-11-20(12-6-2-1-3-7-12)15-9-5-4-8-13(14)15/h1-9H,10-11H2,(H3,17,19,21)/b18-14-
InChIKeyUYRYWSWWLXAJOC-JXAWBTAJSA-N
XLogP2.77
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 52.77
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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Frequently Asked Questions

What is the IUPAC name of [(Z)-(1-phenyl-2,3-dihydroquinolin-4-ylidene)amino]thiourea?
The IUPAC name of [(Z)-(1-phenyl-2,3-dihydroquinolin-4-ylidene)amino]thiourea (CID 102009918) is [(Z)-(1-phenyl-2,3-dihydroquinolin-4-ylidene)amino]thiourea.
What is the SMILES notation for [(Z)-(1-phenyl-2,3-dihydroquinolin-4-ylidene)amino]thiourea?
The canonical SMILES for [(Z)-(1-phenyl-2,3-dihydroquinolin-4-ylidene)amino]thiourea is NC(=S)N/N=C1/CCN(c2ccccc2)c2ccccc21.
What is the InChIKey of [(Z)-(1-phenyl-2,3-dihydroquinolin-4-ylidene)amino]thiourea?
The InChIKey is UYRYWSWWLXAJOC-JXAWBTAJSA-N. The full InChI is InChI=1S/C16H16N4S/c17-16(21)19-18-14-10-11-20(12-6-2-1-3-7-12)15-9-5-4-8-13(14)15/h1-9H,10-11H2,(H3,17,19,21)/b18-14-.
What are the key properties of [(Z)-(1-phenyl-2,3-dihydroquinolin-4-ylidene)amino]thiourea?
[(Z)-(1-phenyl-2,3-dihydroquinolin-4-ylidene)amino]thiourea has a molecular weight of 296.40 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(1-phenyl-2,3-dihydroquinolin-4-ylidene)amino]thiourea is sourced from PubChem (CID 102009918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).