N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide

C19H24N4O5S — CID 5212449

IUPACN-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide
SMILESCOCCCN(CC(=O)Nc1nc(C)c(C)s1)C(=O)c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C19H24N4O5S/c1-12-6-7-15(10-16(12)23(26)27)18(25)22(8-5-9-28-4)11-17(24)21-19-20-13(2)14(3)29-19/h6-7,10H,5,8-9,11H2,1-4H3,(H,20,21,24)
InChIKeyUCABOJNFOSKFMU-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.09
Rot. Bonds9

About N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide

N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide (PubChem CID 5212449) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide
PubChem CID5212449
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC NameN-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide
SMILESCOCCCN(CC(=O)Nc1nc(C)c(C)s1)C(=O)c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C19H24N4O5S/c1-12-6-7-15(10-16(12)23(26)27)18(25)22(8-5-9-28-4)11-17(24)21-19-20-13(2)14(3)29-19/h6-7,10H,5,8-9,11H2,1-4H3,(H,20,21,24)
InChIKeyUCABOJNFOSKFMU-UHFFFAOYSA-N
XLogP3.09
TPSA114.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-1,3-benzodioxole-5-carboxamide
CID 4204800
4-butoxy-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 42771492
4-chloro-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 5145350
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-fluoro-N-(3-methoxypropyl)benzamide
CID 4302806
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-ethoxypropyl)-4-methoxybenzamide
CID 4638908
N-[3-(dimethylamino)propyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-methoxybenzamide
CID 3287313
4-butoxy-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-ethylbenzamide
CID 4132803
N-[2-(dimethylamino)ethyl]-4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-nitrobenzamide
CID 42770327
N-(3-methoxypropyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-nitrobenzamide
CID 4054596
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-methoxypropyl-(2-phenylmethoxyacetyl)amino]acetamide
CID 4226699
3,4-dichloro-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-ethylbenzamide
CID 5198515
N-[2-(dimethylamino)ethyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-methoxybenzamide
CID 42771484

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide?
The IUPAC name of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide (CID 5212449) is N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide?
The canonical SMILES for N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide is COCCCN(CC(=O)Nc1nc(C)c(C)s1)C(=O)c1ccc(C)c([N+](=O)[O-])c1.
What is the InChIKey of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide?
The InChIKey is UCABOJNFOSKFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-12-6-7-15(10-16(12)23(26)27)18(25)22(8-5-9-28-4)11-17(24)21-19-20-13(2)14(3)29-19/h6-7,10H,5,8-9,11H2,1-4H3,(H,20,21,24).
What are the key properties of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide?
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide has a molecular weight of 420.49 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide is sourced from PubChem (CID 5212449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).