2-cyano-3-(2-phenylphenyl)prop-2-enethioamide

C16H12N2S — CID 176980475

IUPAC2-cyano-3-(2-phenylphenyl)prop-2-enethioamide
SMILESN#CC(=Cc1ccccc1-c1ccccc1)C(N)=S
InChIInChI=1S/C16H12N2S/c17-11-14(16(18)19)10-13-8-4-5-9-15(13)12-6-2-1-3-7-12/h1-10H,(H2,18,19)
InChIKeyHQCYBSNWUYFROL-UHFFFAOYSA-N
MW264.35 g/mol
LogP3.55
Rot. Bonds3

About 2-cyano-3-(2-phenylphenyl)prop-2-enethioamide

2-cyano-3-(2-phenylphenyl)prop-2-enethioamide (PubChem CID 176980475) has the molecular formula C16H12N2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-cyano-3-(2-phenylphenyl)prop-2-enethioamide.

Molecular Properties

Compound Name2-cyano-3-(2-phenylphenyl)prop-2-enethioamide
PubChem CID176980475
Molecular FormulaC16H12N2S
Molecular Weight264.35 g/mol
Exact Mass264.07
IUPAC Name2-cyano-3-(2-phenylphenyl)prop-2-enethioamide
SMILESN#CC(=Cc1ccccc1-c1ccccc1)C(N)=S
InChIInChI=1S/C16H12N2S/c17-11-14(16(18)19)10-13-8-4-5-9-15(13)12-6-2-1-3-7-12/h1-10H,(H2,18,19)
InChIKeyHQCYBSNWUYFROL-UHFFFAOYSA-N
XLogP3.55
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-cyano-3-phenylprop-2-enethioamide
CID 1487476
(Z)-2-cyano-3-(2,3-dichlorophenyl)prop-2-enethioamide
CID 729911
2-cyano-3-(3-phenylphenyl)prop-2-enethioamide
CID 176980528
3-azulen-1-yl-2-phenylprop-2-enenitrile
CID 141486113
(E)-3-(2-butoxyphenyl)-2-cyanoprop-2-enethioamide
CID 6211795
2-cyano-3-[1-(2-cyanoethyl)-3-(4-phenylphenyl)pyrazol-4-yl]prop-2-enethioamide
CID 2900619
1-(2-methylprop-1-enyl)-2-phenylbenzene
CID 59340374
(E)-3-(2-chloroquinolin-3-yl)-2-cyanoprop-2-enethioamide
CID 779116
(E)-2-cyano-3-selenophen-2-ylprop-2-enethioamide
CID 6391057
2-cyano-3-(2,4-dichlorophenyl)prop-2-enethioamide
CID 2737937
(E)-2-cyano-3-(2,4-dimethylphenyl)prop-2-enethioamide
CID 778542
2-cyano-3-[2-(2,4-dichlorophenoxy)phenyl]prop-2-enethioamide
CID 3777917

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(2-phenylphenyl)prop-2-enethioamide?
The IUPAC name of 2-cyano-3-(2-phenylphenyl)prop-2-enethioamide (CID 176980475) is 2-cyano-3-(2-phenylphenyl)prop-2-enethioamide.
What is the SMILES notation for 2-cyano-3-(2-phenylphenyl)prop-2-enethioamide?
The canonical SMILES for 2-cyano-3-(2-phenylphenyl)prop-2-enethioamide is N#CC(=Cc1ccccc1-c1ccccc1)C(N)=S.
What is the InChIKey of 2-cyano-3-(2-phenylphenyl)prop-2-enethioamide?
The InChIKey is HQCYBSNWUYFROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2S/c17-11-14(16(18)19)10-13-8-4-5-9-15(13)12-6-2-1-3-7-12/h1-10H,(H2,18,19).
What are the key properties of 2-cyano-3-(2-phenylphenyl)prop-2-enethioamide?
2-cyano-3-(2-phenylphenyl)prop-2-enethioamide has a molecular weight of 264.35 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(2-phenylphenyl)prop-2-enethioamide is sourced from PubChem (CID 176980475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).