1-phenyl-3-[(Z)-3-phenylpropylideneamino]thiourea

C16H17N3S — CID 6231259

IUPAC1-phenyl-3-[(Z)-3-phenylpropylideneamino]thiourea
SMILESS=C(N/N=C\CCc1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H17N3S/c20-16(18-15-11-5-2-6-12-15)19-17-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-13H,7,10H2,(H2,18,19,20)/b17-13-
InChIKeyBYJIMLZGPIGVGZ-LGMDPLHJSA-N
MW283.40 g/mol
LogP3.59
Rot. Bonds5

About 1-phenyl-3-[(Z)-3-phenylpropylideneamino]thiourea

1-phenyl-3-[(Z)-3-phenylpropylideneamino]thiourea (PubChem CID 6231259) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-phenyl-3-[(Z)-3-phenylpropylideneamino]thiourea.

Molecular Properties

Compound Name1-phenyl-3-[(Z)-3-phenylpropylideneamino]thiourea
PubChem CID6231259
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name1-phenyl-3-[(Z)-3-phenylpropylideneamino]thiourea
SMILESS=C(N/N=C\CCc1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H17N3S/c20-16(18-15-11-5-2-6-12-15)19-17-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-13H,7,10H2,(H2,18,19,20)/b17-13-
InChIKeyBYJIMLZGPIGVGZ-LGMDPLHJSA-N
XLogP3.59
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(4-methylphenyl)-3-(2-phenylethylideneamino)thiourea
CID 4922452
1-[(E)-ethylideneamino]-3-phenylthiourea
CID 12593777
1-[(E)-(4-ethylphenyl)methylideneamino]-3-phenylthiourea
CID 7264044
N'-(3-phenylpropylideneamino)oxamide
CID 4674915
1-[(E)-2,2-dimethylpropylideneamino]-3-phenylthiourea
CID 131990820
N-(2,6-dimethylphenyl)-N'-[(E)-3-phenylpropylideneamino]oxamide
CID 6256748
1-[(Z)-naphthalen-1-ylmethylideneamino]-3-phenylthiourea
CID 5417284
2-methyl-N-[3-[[(E)-3-phenylpropylideneamino]carbamoyl]phenyl]benzamide
CID 7238939
1-[(E)-2-aminopropylideneamino]-3-phenylthiourea
CID 58684536
1-phenyl-3-[4-(2-phenylethoxy)phenyl]thiourea
CID 17066893
2-cyano-N-(3-phenylpropylideneamino)acetamide
CID 5104820
(NE)-N-(3-phenylpropylidene)(15N)hydroxylamine
CID 10534827

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(Z)-3-phenylpropylideneamino]thiourea?
The IUPAC name of 1-phenyl-3-[(Z)-3-phenylpropylideneamino]thiourea (CID 6231259) is 1-phenyl-3-[(Z)-3-phenylpropylideneamino]thiourea.
What is the SMILES notation for 1-phenyl-3-[(Z)-3-phenylpropylideneamino]thiourea?
The canonical SMILES for 1-phenyl-3-[(Z)-3-phenylpropylideneamino]thiourea is S=C(N/N=C\CCc1ccccc1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-[(Z)-3-phenylpropylideneamino]thiourea?
The InChIKey is BYJIMLZGPIGVGZ-LGMDPLHJSA-N. The full InChI is InChI=1S/C16H17N3S/c20-16(18-15-11-5-2-6-12-15)19-17-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-13H,7,10H2,(H2,18,19,20)/b17-13-.
What are the key properties of 1-phenyl-3-[(Z)-3-phenylpropylideneamino]thiourea?
1-phenyl-3-[(Z)-3-phenylpropylideneamino]thiourea has a molecular weight of 283.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(Z)-3-phenylpropylideneamino]thiourea is sourced from PubChem (CID 6231259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).