2-(methylamino)-5-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide

C12H12N4O3S — CID 60972399

IUPAC2-(methylamino)-5-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)NCc1nccs1
InChIInChI=1S/C12H12N4O3S/c1-13-10-3-2-8(16(18)19)6-9(10)12(17)15-7-11-14-4-5-20-11/h2-6,13H,7H2,1H3,(H,15,17)
InChIKeyNGCSJDYCTFWULM-UHFFFAOYSA-N
MW292.32 g/mol
LogP2.02
Rot. Bonds5

About 2-(methylamino)-5-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide

2-(methylamino)-5-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide (PubChem CID 60972399) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-(methylamino)-5-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(methylamino)-5-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
PubChem CID60972399
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name2-(methylamino)-5-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)NCc1nccs1
InChIInChI=1S/C12H12N4O3S/c1-13-10-3-2-8(16(18)19)6-9(10)12(17)15-7-11-14-4-5-20-11/h2-6,13H,7H2,1H3,(H,15,17)
InChIKeyNGCSJDYCTFWULM-UHFFFAOYSA-N
XLogP2.02
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 52.02
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

3-(methylamino)-2-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 115548761
3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110463662
2-(methylamino)-3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 115936633
N-[[4-(methoxymethyl)phenyl]methyl]-2-(methylamino)-5-nitrobenzamide
CID 46415800
6-methyl-4-(methylamino)-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
CID 81240074
2-(methylamino)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-5-nitrobenzamide
CID 24532528
2-(methylamino)-N-(2-methylsulfinylethyl)-5-nitrobenzamide
CID 115616666
N-(3-methoxypropyl)-2-(methylamino)-5-nitrobenzamide
CID 35513765
2-hydroxy-3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 103800073
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-(methylamino)-5-nitrobenzamide
CID 47787642
2-(methylamino)-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29369991
2-(methylamino)-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide
CID 63822125

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-5-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide?
The IUPAC name of 2-(methylamino)-5-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide (CID 60972399) is 2-(methylamino)-5-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide.
What is the SMILES notation for 2-(methylamino)-5-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide?
The canonical SMILES for 2-(methylamino)-5-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide is CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1nccs1.
What is the InChIKey of 2-(methylamino)-5-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide?
The InChIKey is NGCSJDYCTFWULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-13-10-3-2-8(16(18)19)6-9(10)12(17)15-7-11-14-4-5-20-11/h2-6,13H,7H2,1H3,(H,15,17).
What are the key properties of 2-(methylamino)-5-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide?
2-(methylamino)-5-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide has a molecular weight of 292.32 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-5-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide is sourced from PubChem (CID 60972399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).