4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzamide

C19H14N4OS — CID 741320

IUPAC4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzamide
SMILESN#C/C(=C\Nc1ccc(C(N)=O)cc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H14N4OS/c20-10-15(11-22-16-8-6-14(7-9-16)18(21)24)19-23-17(12-25-19)13-4-2-1-3-5-13/h1-9,11-12,22H,(H2,21,24)/b15-11+
InChIKeyCYQPZBAIONKJNE-RVDMUPIBSA-N
MW346.42 g/mol
LogP3.89
Rot. Bonds5

About 4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzamide

4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzamide (PubChem CID 741320) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is 4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzamide
PubChem CID741320
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC Name4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzamide
SMILESN#C/C(=C\Nc1ccc(C(N)=O)cc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H14N4OS/c20-10-15(11-22-16-8-6-14(7-9-16)18(21)24)19-23-17(12-25-19)13-4-2-1-3-5-13/h1-9,11-12,22H,(H2,21,24)/b15-11+
InChIKeyCYQPZBAIONKJNE-RVDMUPIBSA-N
XLogP3.89
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzenesulfonamide
CID 2253271
3-(4-methylanilino)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 3721609
(Z)-3-(4-methoxyanilino)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 2057598
3-(4-ethylanilino)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 3849433
(E)-3-anilino-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 1223314
3-(3,4-difluoroanilino)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 3759662
3-(4-butylanilino)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 23964128
propyl 4-[[(E)-2-cyano-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate
CID 27636628
2-(4-phenyl-1,3-thiazol-2-yl)-3-(quinolin-6-ylamino)prop-2-enenitrile
CID 1389538
3-(2-ethylanilino)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 3823570
2-methylpropyl 4-[[(E)-2-cyano-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate
CID 45029933
(E)-3-(4-chloroanilino)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 2253295

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzamide?
The IUPAC name of 4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzamide (CID 741320) is 4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzamide.
What is the SMILES notation for 4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzamide?
The canonical SMILES for 4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzamide is N#C/C(=C\Nc1ccc(C(N)=O)cc1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzamide?
The InChIKey is CYQPZBAIONKJNE-RVDMUPIBSA-N. The full InChI is InChI=1S/C19H14N4OS/c20-10-15(11-22-16-8-6-14(7-9-16)18(21)24)19-23-17(12-25-19)13-4-2-1-3-5-13/h1-9,11-12,22H,(H2,21,24)/b15-11+.
What are the key properties of 4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzamide?
4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzamide has a molecular weight of 346.42 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzamide is sourced from PubChem (CID 741320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).