4-acetamido-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide

C19H16N4O4S — CID 134041748

IUPAC4-acetamido-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1
InChIInChI=1S/C19H16N4O4S/c1-11-3-4-14(9-17(11)23(26)27)16-10-28-19(21-16)22-18(25)13-5-7-15(8-6-13)20-12(2)24/h3-10H,1-2H3,(H,20,24)(H,21,22,25)
InChIKeyWULXVWAFMIRDOP-UHFFFAOYSA-N
MW396.43 g/mol
LogP4.24
Rot. Bonds5

About 4-acetamido-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide

4-acetamido-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 134041748) has the molecular formula C19H16N4O4S and a molecular weight of 396.43 g/mol. Its IUPAC name is 4-acetamido-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID134041748
Molecular FormulaC19H16N4O4S
Molecular Weight396.43 g/mol
Exact Mass396.09
IUPAC Name4-acetamido-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1
InChIInChI=1S/C19H16N4O4S/c1-11-3-4-14(9-17(11)23(26)27)16-10-28-19(21-16)22-18(25)13-5-7-15(8-6-13)20-12(2)24/h3-10H,1-2H3,(H,20,24)(H,21,22,25)
InChIKeyWULXVWAFMIRDOP-UHFFFAOYSA-N
XLogP4.24
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 54.24
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-(benzenesulfonylmethyl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 55759385
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 1194542
3-methoxy-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 134041751
N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 86913456
2,5-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 134041759
N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17404606
3-(diethylsulfamoyl)-4-methyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 55469004
N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 55870173
N-methyl-4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-amine
CID 9011754
3-(dimethylsulfamoyl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 55468913
4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide
CID 78783914
3,3-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]butanamide
CID 134041757

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-acetamido-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide (CID 134041748) is 4-acetamido-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-acetamido-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-acetamido-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide is CC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1.
What is the InChIKey of 4-acetamido-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is WULXVWAFMIRDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4S/c1-11-3-4-14(9-17(11)23(26)27)16-10-28-19(21-16)22-18(25)13-5-7-15(8-6-13)20-12(2)24/h3-10H,1-2H3,(H,20,24)(H,21,22,25).
What are the key properties of 4-acetamido-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide?
4-acetamido-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 396.43 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 134041748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).