1-phenyl-3-[(E)-1-phenylhexylideneamino]thiourea

C19H23N3S — CID 6391805

IUPAC1-phenyl-3-[(E)-1-phenylhexylideneamino]thiourea
SMILESCCCCC/C(=N\NC(=S)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N3S/c1-2-3-6-15-18(16-11-7-4-8-12-16)21-22-19(23)20-17-13-9-5-10-14-17/h4-5,7-14H,2-3,6,15H2,1H3,(H2,20,22,23)/b21-18+
InChIKeyYUJCKRHDENNIIR-DYTRJAOYSA-N
MW325.48 g/mol
LogP4.96
Rot. Bonds7

About 1-phenyl-3-[(E)-1-phenylhexylideneamino]thiourea

1-phenyl-3-[(E)-1-phenylhexylideneamino]thiourea (PubChem CID 6391805) has the molecular formula C19H23N3S and a molecular weight of 325.48 g/mol. Its IUPAC name is 1-phenyl-3-[(E)-1-phenylhexylideneamino]thiourea.

Molecular Properties

Compound Name1-phenyl-3-[(E)-1-phenylhexylideneamino]thiourea
PubChem CID6391805
Molecular FormulaC19H23N3S
Molecular Weight325.48 g/mol
Exact Mass325.16
IUPAC Name1-phenyl-3-[(E)-1-phenylhexylideneamino]thiourea
SMILESCCCCC/C(=N\NC(=S)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N3S/c1-2-3-6-15-18(16-11-7-4-8-12-16)21-22-19(23)20-17-13-9-5-10-14-17/h4-5,7-14H,2-3,6,15H2,1H3,(H2,20,22,23)/b21-18+
InChIKeyYUJCKRHDENNIIR-DYTRJAOYSA-N
XLogP4.96
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(4-methylphenyl)-3-[(Z)-1-phenylpentylideneamino]thiourea
CID 6131885
1-[(Z)-1-phenylpentylideneamino]-3-prop-2-enylthiourea
CID 8978817
N-(1-phenylpentylideneamino)octanamide
CID 4676930
4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide
CID 4926193
1-butyl-3-[(Z)-1-phenylbutylideneamino]thiourea
CID 7612825
N-(4-methylphenyl)-N'-[(Z)-1-phenylhexylideneamino]oxamide
CID 9180166
methyl N-[(Z)-1-phenylhexadecylideneamino]carbamate
CID 127261696
4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide
CID 3380724
N-phenyloctanethioamide
CID 3767527
1-phenyl-3-[3-(phenylcarbamothioylhydrazinylidene)butan-2-ylideneamino]thiourea
CID 54406918
N-(4-ethoxyphenyl)-N'-[(E)-1-phenylhexylideneamino]butanediamide
CID 6392223
1-phenyl-3-[(E)-[(2E)-2-(phenylcarbamothioylhydrazinylidene)pentan-3-ylidene]amino]thiourea
CID 14325233

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(E)-1-phenylhexylideneamino]thiourea?
The IUPAC name of 1-phenyl-3-[(E)-1-phenylhexylideneamino]thiourea (CID 6391805) is 1-phenyl-3-[(E)-1-phenylhexylideneamino]thiourea.
What is the SMILES notation for 1-phenyl-3-[(E)-1-phenylhexylideneamino]thiourea?
The canonical SMILES for 1-phenyl-3-[(E)-1-phenylhexylideneamino]thiourea is CCCCC/C(=N\NC(=S)Nc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-[(E)-1-phenylhexylideneamino]thiourea?
The InChIKey is YUJCKRHDENNIIR-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H23N3S/c1-2-3-6-15-18(16-11-7-4-8-12-16)21-22-19(23)20-17-13-9-5-10-14-17/h4-5,7-14H,2-3,6,15H2,1H3,(H2,20,22,23)/b21-18+.
What are the key properties of 1-phenyl-3-[(E)-1-phenylhexylideneamino]thiourea?
1-phenyl-3-[(E)-1-phenylhexylideneamino]thiourea has a molecular weight of 325.48 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(E)-1-phenylhexylideneamino]thiourea is sourced from PubChem (CID 6391805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).