(Z)-3-amino-2-cyano-3-phenylprop-2-enethioamide

C10H9N3S — CID 14453737

IUPAC(Z)-3-amino-2-cyano-3-phenylprop-2-enethioamide
SMILESN#C/C(C(N)=S)=C(/N)c1ccccc1
InChIInChI=1S/C10H9N3S/c11-6-8(10(13)14)9(12)7-4-2-1-3-5-7/h1-5H,12H2,(H2,13,14)/b9-8-
InChIKeyAWHCFSPPXPVDQO-HJWRWDBZSA-N
MW203.27 g/mol
LogP1.17
Rot. Bonds2

About (Z)-3-amino-2-cyano-3-phenylprop-2-enethioamide

(Z)-3-amino-2-cyano-3-phenylprop-2-enethioamide (PubChem CID 14453737) has the molecular formula C10H9N3S and a molecular weight of 203.27 g/mol. Its IUPAC name is (Z)-3-amino-2-cyano-3-phenylprop-2-enethioamide.

Molecular Properties

Compound Name(Z)-3-amino-2-cyano-3-phenylprop-2-enethioamide
PubChem CID14453737
Molecular FormulaC10H9N3S
Molecular Weight203.27 g/mol
Exact Mass203.05
IUPAC Name(Z)-3-amino-2-cyano-3-phenylprop-2-enethioamide
SMILESN#C/C(C(N)=S)=C(/N)c1ccccc1
InChIInChI=1S/C10H9N3S/c11-6-8(10(13)14)9(12)7-4-2-1-3-5-7/h1-5H,12H2,(H2,13,14)/b9-8-
InChIKeyAWHCFSPPXPVDQO-HJWRWDBZSA-N
XLogP1.17
TPSA75.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze (Z)-3-amino-2-cyano-3-phenylprop-2-enethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-cyano-3-phenylbut-2-enethioamide
CID 58003439
methyl (Z)-3-amino-2-cyano-3-phenylprop-2-enedithioate
CID 12551801
(E)-3-amino-2-cyano-3-phenylprop-2-enoic acid
CID 66601927
(2E)-2-[amino(phenyl)methylidene]-3-phenylbut-3-enenitrile
CID 11218830
3-amino-2-benzoyl-3-(4-chlorophenyl)prop-2-enenitrile
CID 131844104
(Z)-3-amino-2-cyano-N-(4-methylphenyl)sulfonyl-3-phenylprop-2-enethioamide
CID 135050887
propyl 3-amino-2-cyano-3-phenylprop-2-enoate
CID 141484853
(Z)-3-anilino-2-cyano-3-methylsulfanylprop-2-enethioamide
CID 23656200
(Z)-3-amino-2-cyano-4-oxo-4-phenylbut-2-enoic acid
CID 87956362
(Z)-2-cyano-3-phenylprop-2-enethioamide
CID 1487476
(Z)-2-cyano-3-(3-phenylpropylamino)but-2-enethioamide
CID 87799103
3-amino-3-phenyl-2-pyridin-2-ylprop-2-enenitrile
CID 4114741

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-cyano-3-phenylprop-2-enethioamide?
The IUPAC name of (Z)-3-amino-2-cyano-3-phenylprop-2-enethioamide (CID 14453737) is (Z)-3-amino-2-cyano-3-phenylprop-2-enethioamide.
What is the SMILES notation for (Z)-3-amino-2-cyano-3-phenylprop-2-enethioamide?
The canonical SMILES for (Z)-3-amino-2-cyano-3-phenylprop-2-enethioamide is N#C/C(C(N)=S)=C(/N)c1ccccc1.
What is the InChIKey of (Z)-3-amino-2-cyano-3-phenylprop-2-enethioamide?
The InChIKey is AWHCFSPPXPVDQO-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H9N3S/c11-6-8(10(13)14)9(12)7-4-2-1-3-5-7/h1-5H,12H2,(H2,13,14)/b9-8-.
What are the key properties of (Z)-3-amino-2-cyano-3-phenylprop-2-enethioamide?
(Z)-3-amino-2-cyano-3-phenylprop-2-enethioamide has a molecular weight of 203.27 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-cyano-3-phenylprop-2-enethioamide is sourced from PubChem (CID 14453737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).