N-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]benzamide

C22H17N3OS — CID 6245045

IUPACN-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]benzamide
SMILESO=C(N/N=c1/scc(-c2ccccc2)n1-c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17N3OS/c26-21(18-12-6-2-7-13-18)23-24-22-25(19-14-8-3-9-15-19)20(16-27-22)17-10-4-1-5-11-17/h1-16H,(H,23,26)/b24-22+
InChIKeyDYVBIGHTHDERHV-ZNTNEXAZSA-N
MW371.47 g/mol
LogP4.45
Rot. Bonds4

About N-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]benzamide

N-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]benzamide (PubChem CID 6245045) has the molecular formula C22H17N3OS and a molecular weight of 371.47 g/mol. Its IUPAC name is N-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]benzamide.

Molecular Properties

Compound NameN-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]benzamide
PubChem CID6245045
Molecular FormulaC22H17N3OS
Molecular Weight371.47 g/mol
Exact Mass371.11
IUPAC NameN-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]benzamide
SMILESO=C(N/N=c1/scc(-c2ccccc2)n1-c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17N3OS/c26-21(18-12-6-2-7-13-18)23-24-22-25(19-14-8-3-9-15-19)20(16-27-22)17-10-4-1-5-11-17/h1-16H,(H,23,26)/b24-22+
InChIKeyDYVBIGHTHDERHV-ZNTNEXAZSA-N
XLogP4.45
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]acetamide
CID 21178765
4-cyano-N-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]-1,5-diphenylpyrazole-3-carboxamide
CID 46895660
N-[[3-(2-chloroacetyl)-4-(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]benzamide
CID 1498089
N-[[3-(2-chloroacetyl)-4-(4-hydroxyphenyl)-1,3-thiazol-2-ylidene]amino]benzamide
CID 1498090
N-[(3-acetyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-4-methoxybenzamide
CID 1498013
4-cyano-N-[(E)-[4-(4-methoxyphenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]-1,5-diphenylpyrazole-3-carboxamide
CID 46895662
N-(3,4-diphenyl-1,3-thiazol-2-ylidene)furan-2-carboxamide;hydrochloride
CID 128962848
4-[(E)-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 137295298
N-[(E)-(4-bromo-3-phenyl-1,3-thiazol-2-ylidene)amino]-4-cyano-1,5-diphenylpyrazole-3-carboxamide
CID 46927959
N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide
CID 6882945
(NE)-5-chloro-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide
CID 6177119
N-[3-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-ylidene]benzamide;hydrobromide
CID 44789503

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]benzamide?
The IUPAC name of N-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]benzamide (CID 6245045) is N-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]benzamide.
What is the SMILES notation for N-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]benzamide?
The canonical SMILES for N-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]benzamide is O=C(N/N=c1/scc(-c2ccccc2)n1-c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]benzamide?
The InChIKey is DYVBIGHTHDERHV-ZNTNEXAZSA-N. The full InChI is InChI=1S/C22H17N3OS/c26-21(18-12-6-2-7-13-18)23-24-22-25(19-14-8-3-9-15-19)20(16-27-22)17-10-4-1-5-11-17/h1-16H,(H,23,26)/b24-22+.
What are the key properties of N-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]benzamide?
N-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]benzamide has a molecular weight of 371.47 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-diphenyl-1,3-thiazol-2-ylidene)amino]benzamide is sourced from PubChem (CID 6245045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).