(2Z)-N,N-dimethyl-2-phenyl-2-(phenylhydrazinylidene)ethanethioamide

C16H17N3S — CID 14933594

IUPAC(2Z)-N,N-dimethyl-2-phenyl-2-(phenylhydrazinylidene)ethanethioamide
SMILESCN(C)C(=S)/C(=N\Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17N3S/c1-19(2)16(20)15(13-9-5-3-6-10-13)18-17-14-11-7-4-8-12-14/h3-12,17H,1-2H3/b18-15-
InChIKeyLNWYRWKUMFNVTC-SDXDJHTJSA-N
MW283.40 g/mol
LogP3.39
Rot. Bonds4

About (2Z)-N,N-dimethyl-2-phenyl-2-(phenylhydrazinylidene)ethanethioamide

(2Z)-N,N-dimethyl-2-phenyl-2-(phenylhydrazinylidene)ethanethioamide (PubChem CID 14933594) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is (2Z)-N,N-dimethyl-2-phenyl-2-(phenylhydrazinylidene)ethanethioamide.

Molecular Properties

Compound Name(2Z)-N,N-dimethyl-2-phenyl-2-(phenylhydrazinylidene)ethanethioamide
PubChem CID14933594
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name(2Z)-N,N-dimethyl-2-phenyl-2-(phenylhydrazinylidene)ethanethioamide
SMILESCN(C)C(=S)/C(=N\Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17N3S/c1-19(2)16(20)15(13-9-5-3-6-10-13)18-17-14-11-7-4-8-12-14/h3-12,17H,1-2H3/b18-15-
InChIKeyLNWYRWKUMFNVTC-SDXDJHTJSA-N
XLogP3.39
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
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 (2Z)-N,N-dimethyl-2-phenyl-2-(phenylhydrazinylidene)ethanethioamide?
The IUPAC name of (2Z)-N,N-dimethyl-2-phenyl-2-(phenylhydrazinylidene)ethanethioamide (CID 14933594) is (2Z)-N,N-dimethyl-2-phenyl-2-(phenylhydrazinylidene)ethanethioamide.
What is the SMILES notation for (2Z)-N,N-dimethyl-2-phenyl-2-(phenylhydrazinylidene)ethanethioamide?
The canonical SMILES for (2Z)-N,N-dimethyl-2-phenyl-2-(phenylhydrazinylidene)ethanethioamide is CN(C)C(=S)/C(=N\Nc1ccccc1)c1ccccc1.
What is the InChIKey of (2Z)-N,N-dimethyl-2-phenyl-2-(phenylhydrazinylidene)ethanethioamide?
The InChIKey is LNWYRWKUMFNVTC-SDXDJHTJSA-N. The full InChI is InChI=1S/C16H17N3S/c1-19(2)16(20)15(13-9-5-3-6-10-13)18-17-14-11-7-4-8-12-14/h3-12,17H,1-2H3/b18-15-.
What are the key properties of (2Z)-N,N-dimethyl-2-phenyl-2-(phenylhydrazinylidene)ethanethioamide?
(2Z)-N,N-dimethyl-2-phenyl-2-(phenylhydrazinylidene)ethanethioamide has a molecular weight of 283.40 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N,N-dimethyl-2-phenyl-2-(phenylhydrazinylidene)ethanethioamide is sourced from PubChem (CID 14933594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).