N-[4-[2-[[(Z)-2-(2-nitrophenyl)ethenyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide

C24H18N4O3S — CID 162649883

IUPACN-[4-[2-[[(Z)-2-(2-nitrophenyl)ethenyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2csc(N/C=C\c3ccccc3[N+](=O)[O-])n2)cc1)c1ccccc1
InChIInChI=1S/C24H18N4O3S/c29-23(19-7-2-1-3-8-19)26-20-12-10-17(11-13-20)21-16-32-24(27-21)25-15-14-18-6-4-5-9-22(18)28(30)31/h1-16H,(H,25,27)(H,26,29)/b15-14-
InChIKeyGCNXXWJIDPOOHR-PFONDFGASA-N
MW442.50 g/mol
LogP6.05
Rot. Bonds7

About N-[4-[2-[[(Z)-2-(2-nitrophenyl)ethenyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide

N-[4-[2-[[(Z)-2-(2-nitrophenyl)ethenyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide (PubChem CID 162649883) has the molecular formula C24H18N4O3S and a molecular weight of 442.50 g/mol. Its IUPAC name is N-[4-[2-[[(Z)-2-(2-nitrophenyl)ethenyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[[(Z)-2-(2-nitrophenyl)ethenyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
PubChem CID162649883
Molecular FormulaC24H18N4O3S
Molecular Weight442.50 g/mol
Exact Mass442.11
IUPAC NameN-[4-[2-[[(Z)-2-(2-nitrophenyl)ethenyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2csc(N/C=C\c3ccccc3[N+](=O)[O-])n2)cc1)c1ccccc1
InChIInChI=1S/C24H18N4O3S/c29-23(19-7-2-1-3-8-19)26-20-12-10-17(11-13-20)21-16-32-24(27-21)25-15-14-18-6-4-5-9-22(18)28(30)31/h1-16H,(H,25,27)(H,26,29)/b15-14-
InChIKeyGCNXXWJIDPOOHR-PFONDFGASA-N
XLogP6.05
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.50
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 718622
Aminothiazole, 1
CID 9871912
4-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 4877774
2-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 5048792
2-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 3106386
N-[3-[2-[3-(trifluoromethyl)anilino]-4-thiazolyl]phenyl]benzamide
CID 16745788
3-nitro-5-(trifluoromethyl)-N-[3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 16745801
(E)-4-(3-(hydroxyamino)-3-oxoprop-1-enyl)-N-(4-methyl-3-(4-(pyridin-3-yl)thiazol-2-ylamino)phenyl)benzamide
CID 42613483
4-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 145489022
N-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propylanilino)methyl]benzamide
CID 145489338
N-[3-[(6-nitro-1,3-benzothiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 2894089
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 678894

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[(Z)-2-(2-nitrophenyl)ethenyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide?
The IUPAC name of N-[4-[2-[[(Z)-2-(2-nitrophenyl)ethenyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide (CID 162649883) is N-[4-[2-[[(Z)-2-(2-nitrophenyl)ethenyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide.
What is the SMILES notation for N-[4-[2-[[(Z)-2-(2-nitrophenyl)ethenyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide?
The canonical SMILES for N-[4-[2-[[(Z)-2-(2-nitrophenyl)ethenyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide is O=C(Nc1ccc(-c2csc(N/C=C\c3ccccc3[N+](=O)[O-])n2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[2-[[(Z)-2-(2-nitrophenyl)ethenyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide?
The InChIKey is GCNXXWJIDPOOHR-PFONDFGASA-N. The full InChI is InChI=1S/C24H18N4O3S/c29-23(19-7-2-1-3-8-19)26-20-12-10-17(11-13-20)21-16-32-24(27-21)25-15-14-18-6-4-5-9-22(18)28(30)31/h1-16H,(H,25,27)(H,26,29)/b15-14-.
What are the key properties of N-[4-[2-[[(Z)-2-(2-nitrophenyl)ethenyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide?
N-[4-[2-[[(Z)-2-(2-nitrophenyl)ethenyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide has a molecular weight of 442.50 g/mol, XLogP of 6.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[(Z)-2-(2-nitrophenyl)ethenyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide is sourced from PubChem (CID 162649883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).