N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide

C19H23N5O5S — CID 5112886

IUPACN-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide
SMILESCc1csc(NC(=O)CN(CCN2CCOCC2)C(=O)c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C19H23N5O5S/c1-14-13-30-19(20-14)21-17(25)12-23(6-5-22-7-9-29-10-8-22)18(26)15-3-2-4-16(11-15)24(27)28/h2-4,11,13H,5-10,12H2,1H3,(H,20,21,25)
InChIKeyICQWPGXIMVRROP-UHFFFAOYSA-N
MW433.49 g/mol
LogP1.77
Rot. Bonds8

About N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide

N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide (PubChem CID 5112886) has the molecular formula C19H23N5O5S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide
PubChem CID5112886
Molecular FormulaC19H23N5O5S
Molecular Weight433.49 g/mol
Exact Mass433.14
IUPAC NameN-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide
SMILESCc1csc(NC(=O)CN(CCN2CCOCC2)C(=O)c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C19H23N5O5S/c1-14-13-30-19(20-14)21-17(25)12-23(6-5-22-7-9-29-10-8-22)18(26)15-3-2-4-16(11-15)24(27)28/h2-4,11,13H,5-10,12H2,1H3,(H,20,21,25)
InChIKeyICQWPGXIMVRROP-UHFFFAOYSA-N
XLogP1.77
TPSA117.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-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

N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3,5-bis(trifluoromethyl)benzamide
CID 4278377
2-fluoro-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 4152384
N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-nitrobenzamide
CID 3460973
N-(4-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylpropanamide
CID 100975758
N-(2-methoxyethyl)-N-[2-[[4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 3273597
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-nitro-N-pentylbenzamide
CID 3531708
N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]naphthalene-2-carboxamide
CID 4164205
3-methoxy-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 5009561
N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide
CID 29137496
N-(4-morpholin-4-ylbutyl)-3-nitrobenzamide
CID 47041854
N-(cyclohexylmethyl)-4-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-nitrobenzamide
CID 4523802
N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-nitrobenzamide
CID 18581591

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide?
The IUPAC name of N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide (CID 5112886) is N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide.
What is the SMILES notation for N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide?
The canonical SMILES for N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide is Cc1csc(NC(=O)CN(CCN2CCOCC2)C(=O)c2cccc([N+](=O)[O-])c2)n1.
What is the InChIKey of N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide?
The InChIKey is ICQWPGXIMVRROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O5S/c1-14-13-30-19(20-14)21-17(25)12-23(6-5-22-7-9-29-10-8-22)18(26)15-3-2-4-16(11-15)24(27)28/h2-4,11,13H,5-10,12H2,1H3,(H,20,21,25).
What are the key properties of N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide?
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide has a molecular weight of 433.49 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide is sourced from PubChem (CID 5112886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).