(1,3-diphenylpropan-2-ylideneamino)thiourea

C16H17N3S — CID 5001827

IUPAC(1,3-diphenylpropan-2-ylideneamino)thiourea
SMILESNC(=S)NN=C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H17N3S/c17-16(20)19-18-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,17,19,20)
InChIKeySEPLCPIJGDUUHY-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.66
Rot. Bonds5

About (1,3-diphenylpropan-2-ylideneamino)thiourea

(1,3-diphenylpropan-2-ylideneamino)thiourea (PubChem CID 5001827) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is (1,3-diphenylpropan-2-ylideneamino)thiourea.

Molecular Properties

Compound Name(1,3-diphenylpropan-2-ylideneamino)thiourea
PubChem CID5001827
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name(1,3-diphenylpropan-2-ylideneamino)thiourea
SMILESNC(=S)NN=C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H17N3S/c17-16(20)19-18-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,17,19,20)
InChIKeySEPLCPIJGDUUHY-UHFFFAOYSA-N
XLogP2.66
TPSA50.41 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 ≤ 52.66
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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Frequently Asked Questions

What is the IUPAC name of (1,3-diphenylpropan-2-ylideneamino)thiourea?
The IUPAC name of (1,3-diphenylpropan-2-ylideneamino)thiourea (CID 5001827) is (1,3-diphenylpropan-2-ylideneamino)thiourea.
What is the SMILES notation for (1,3-diphenylpropan-2-ylideneamino)thiourea?
The canonical SMILES for (1,3-diphenylpropan-2-ylideneamino)thiourea is NC(=S)NN=C(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (1,3-diphenylpropan-2-ylideneamino)thiourea?
The InChIKey is SEPLCPIJGDUUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c17-16(20)19-18-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,17,19,20).
What are the key properties of (1,3-diphenylpropan-2-ylideneamino)thiourea?
(1,3-diphenylpropan-2-ylideneamino)thiourea has a molecular weight of 283.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diphenylpropan-2-ylideneamino)thiourea is sourced from PubChem (CID 5001827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).