[(E)-[(2E)-2-(carbamothioylhydrazinylidene)-1,2-diphenylethylidene]amino]thiourea

C16H16N6S2 — CID 6411405

IUPAC[(E)-[(2E)-2-(carbamothioylhydrazinylidene)-1,2-diphenylethylidene]amino]thiourea
SMILESNC(=S)N/N=C(C(=N/NC(N)=S)/c1ccccc1)\c1ccccc1
InChIInChI=1S/C16H16N6S2/c17-15(23)21-19-13(11-7-3-1-4-8-11)14(20-22-16(18)24)12-9-5-2-6-10-12/h1-10H,(H3,17,21,23)(H3,18,22,24)/b19-13+,20-14+
InChIKeyVASHPLNGDUWESM-IWGRKNQJSA-N
MW356.48 g/mol
LogP1.46
Rot. Bonds5

About [(E)-[(2E)-2-(carbamothioylhydrazinylidene)-1,2-diphenylethylidene]amino]thiourea

[(E)-[(2E)-2-(carbamothioylhydrazinylidene)-1,2-diphenylethylidene]amino]thiourea (PubChem CID 6411405) has the molecular formula C16H16N6S2 and a molecular weight of 356.48 g/mol. Its IUPAC name is [(E)-[(2E)-2-(carbamothioylhydrazinylidene)-1,2-diphenylethylidene]amino]thiourea.

Molecular Properties

Compound Name[(E)-[(2E)-2-(carbamothioylhydrazinylidene)-1,2-diphenylethylidene]amino]thiourea
PubChem CID6411405
Molecular FormulaC16H16N6S2
Molecular Weight356.48 g/mol
Exact Mass356.09
IUPAC Name[(E)-[(2E)-2-(carbamothioylhydrazinylidene)-1,2-diphenylethylidene]amino]thiourea
SMILESNC(=S)N/N=C(C(=N/NC(N)=S)/c1ccccc1)\c1ccccc1
InChIInChI=1S/C16H16N6S2/c17-15(23)21-19-13(11-7-3-1-4-8-11)14(20-22-16(18)24)12-9-5-2-6-10-12/h1-10H,(H3,17,21,23)(H3,18,22,24)/b19-13+,20-14+
InChIKeyVASHPLNGDUWESM-IWGRKNQJSA-N
XLogP1.46
TPSA100.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.48
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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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Frequently Asked Questions

What is the IUPAC name of [(E)-[(2E)-2-(carbamothioylhydrazinylidene)-1,2-diphenylethylidene]amino]thiourea?
The IUPAC name of [(E)-[(2E)-2-(carbamothioylhydrazinylidene)-1,2-diphenylethylidene]amino]thiourea (CID 6411405) is [(E)-[(2E)-2-(carbamothioylhydrazinylidene)-1,2-diphenylethylidene]amino]thiourea.
What is the SMILES notation for [(E)-[(2E)-2-(carbamothioylhydrazinylidene)-1,2-diphenylethylidene]amino]thiourea?
The canonical SMILES for [(E)-[(2E)-2-(carbamothioylhydrazinylidene)-1,2-diphenylethylidene]amino]thiourea is NC(=S)N/N=C(C(=N/NC(N)=S)/c1ccccc1)\c1ccccc1.
What is the InChIKey of [(E)-[(2E)-2-(carbamothioylhydrazinylidene)-1,2-diphenylethylidene]amino]thiourea?
The InChIKey is VASHPLNGDUWESM-IWGRKNQJSA-N. The full InChI is InChI=1S/C16H16N6S2/c17-15(23)21-19-13(11-7-3-1-4-8-11)14(20-22-16(18)24)12-9-5-2-6-10-12/h1-10H,(H3,17,21,23)(H3,18,22,24)/b19-13+,20-14+.
What are the key properties of [(E)-[(2E)-2-(carbamothioylhydrazinylidene)-1,2-diphenylethylidene]amino]thiourea?
[(E)-[(2E)-2-(carbamothioylhydrazinylidene)-1,2-diphenylethylidene]amino]thiourea has a molecular weight of 356.48 g/mol, XLogP of 1.46, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(2E)-2-(carbamothioylhydrazinylidene)-1,2-diphenylethylidene]amino]thiourea is sourced from PubChem (CID 6411405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).