N-methyl-2-[[methyl-(4-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide

C14H14N4O4S — CID 42765712

IUPACN-methyl-2-[[methyl-(4-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C14H14N4O4S/c1-15-13(19)11-8-23-12(16-11)7-17(2)14(20)9-3-5-10(6-4-9)18(21)22/h3-6,8H,7H2,1-2H3,(H,15,19)
InChIKeyVNVXYBIXDGNVRV-UHFFFAOYSA-N
MW334.36 g/mol
LogP1.68
Rot. Bonds5

About N-methyl-2-[[methyl-(4-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide

N-methyl-2-[[methyl-(4-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 42765712) has the molecular formula C14H14N4O4S and a molecular weight of 334.36 g/mol. Its IUPAC name is N-methyl-2-[[methyl-(4-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[[methyl-(4-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide
PubChem CID42765712
Molecular FormulaC14H14N4O4S
Molecular Weight334.36 g/mol
Exact Mass334.07
IUPAC NameN-methyl-2-[[methyl-(4-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C14H14N4O4S/c1-15-13(19)11-8-23-12(16-11)7-17(2)14(20)9-3-5-10(6-4-9)18(21)22/h3-6,8H,7H2,1-2H3,(H,15,19)
InChIKeyVNVXYBIXDGNVRV-UHFFFAOYSA-N
XLogP1.68
TPSA105.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
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

2-[[(2,4-dichlorobenzoyl)-methylamino]methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 1196047
methyl 2-[[3-ethoxypropyl-(4-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3547839
N-methyl-4-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 27889649
N-[1-[methyl-(4-nitrobenzoyl)amino]propan-2-yl]-4-nitrobenzamide
CID 19933575
N-[(4-methoxyphenyl)methyl]-N-methyl-4-nitrobenzamide
CID 7925766
2-[[[(E)-3-(4-nitrophenyl)prop-2-enoyl]-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 1196011
2-[[3-(4-nitrophenyl)prop-2-enoyl-propan-2-ylamino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 1196010
N-methyl-N-[(2-methylphenyl)methyl]-4-nitrobenzamide
CID 27827757
2-(2-aminoethyl)-N-[4-(4-nitrophenyl)butyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120631578
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methyl-4-nitrobenzamide
CID 19464710
N-methyl-4-[[methyl-(4-nitrophenyl)sulfonylamino]methyl]benzamide
CID 26541991
2-[[(4-methyl-3-nitrobenzoyl)-(2-methylpropyl)amino]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 1195958

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[methyl-(4-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-2-[[methyl-(4-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide (CID 42765712) is N-methyl-2-[[methyl-(4-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-2-[[methyl-(4-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-2-[[methyl-(4-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide is CNC(=O)c1csc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of N-methyl-2-[[methyl-(4-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is VNVXYBIXDGNVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4S/c1-15-13(19)11-8-23-12(16-11)7-17(2)14(20)9-3-5-10(6-4-9)18(21)22/h3-6,8H,7H2,1-2H3,(H,15,19).
What are the key properties of N-methyl-2-[[methyl-(4-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide?
N-methyl-2-[[methyl-(4-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 334.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[methyl-(4-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42765712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).