N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-4-methyl-3-nitrobenzamide

C19H18N4O3S — CID 5154094

IUPACN-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-4-methyl-3-nitrobenzamide
SMILESCCNc1nc(-c2cccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cs1
InChIInChI=1S/C19H18N4O3S/c1-3-20-19-22-16(11-27-19)13-5-4-6-15(9-13)21-18(24)14-8-7-12(2)17(10-14)23(25)26/h4-11H,3H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyPEOQSCNDLJHHDD-UHFFFAOYSA-N
MW382.45 g/mol
LogP4.71
Rot. Bonds6

About N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-4-methyl-3-nitrobenzamide

N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-4-methyl-3-nitrobenzamide (PubChem CID 5154094) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-4-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-4-methyl-3-nitrobenzamide
PubChem CID5154094
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC NameN-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-4-methyl-3-nitrobenzamide
SMILESCCNc1nc(-c2cccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cs1
InChIInChI=1S/C19H18N4O3S/c1-3-20-19-22-16(11-27-19)13-5-4-6-15(9-13)21-18(24)14-8-7-12(2)17(10-14)23(25)26/h4-11H,3H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyPEOQSCNDLJHHDD-UHFFFAOYSA-N
XLogP4.71
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 54.71
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'}

Analyze N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-4-methyl-3-nitrobenzamide 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

4-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-nitrobenzamide
CID 30859161
N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 42764774
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-4-methyl-3-nitrobenzamide
CID 7593622
4-acetamido-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 134041748
4-methyl-3-nitro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 2285767
3-(diethylsulfamoyl)-4-methyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 55469004
3-methoxy-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 134041751
N-(3-ethylphenyl)-4-methyl-3-nitrobenzamide
CID 844839
4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-nitrobenzamide
CID 39035457
4-methyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3526553
3-fluoro-4-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 26927659
N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-2-methoxyacetamide
CID 810478

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-4-methyl-3-nitrobenzamide?
The IUPAC name of N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-4-methyl-3-nitrobenzamide (CID 5154094) is N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-4-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-4-methyl-3-nitrobenzamide?
The canonical SMILES for N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-4-methyl-3-nitrobenzamide is CCNc1nc(-c2cccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cs1.
What is the InChIKey of N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-4-methyl-3-nitrobenzamide?
The InChIKey is PEOQSCNDLJHHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-3-20-19-22-16(11-27-19)13-5-4-6-15(9-13)21-18(24)14-8-7-12(2)17(10-14)23(25)26/h4-11H,3H2,1-2H3,(H,20,22)(H,21,24).
What are the key properties of N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-4-methyl-3-nitrobenzamide?
N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-4-methyl-3-nitrobenzamide has a molecular weight of 382.45 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-4-methyl-3-nitrobenzamide is sourced from PubChem (CID 5154094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).