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

C11H10N4O3S — CID 112580537

IUPAC2-(methylamino)-3-nitro-N-(1,3-thiazol-2-yl)benzamide
SMILESCNc1c(C(=O)Nc2nccs2)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O3S/c1-12-9-7(3-2-4-8(9)15(17)18)10(16)14-11-13-5-6-19-11/h2-6,12H,1H3,(H,13,14,16)
InChIKeyPFYJBGHFYLUVPO-UHFFFAOYSA-N
MW278.29 g/mol
LogP2.35
Rot. Bonds4

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

2-(methylamino)-3-nitro-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 112580537) has the molecular formula C11H10N4O3S and a molecular weight of 278.29 g/mol. Its IUPAC name is 2-(methylamino)-3-nitro-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-(methylamino)-3-nitro-N-(1,3-thiazol-2-yl)benzamide
PubChem CID112580537
Molecular FormulaC11H10N4O3S
Molecular Weight278.29 g/mol
Exact Mass278.05
IUPAC Name2-(methylamino)-3-nitro-N-(1,3-thiazol-2-yl)benzamide
SMILESCNc1c(C(=O)Nc2nccs2)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O3S/c1-12-9-7(3-2-4-8(9)15(17)18)10(16)14-11-13-5-6-19-11/h2-6,12H,1H3,(H,13,14,16)
InChIKeyPFYJBGHFYLUVPO-UHFFFAOYSA-N
XLogP2.35
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 52.35
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

2-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzamide;hydrobromide
CID 162319898
2-(methylamino)-3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 115936633
3-amino-2-(methylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 143922390
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(methylamino)-3-nitrobenzamide
CID 104773220
3-chloro-4-(methylamino)-5-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 62173212
4-fluoro-2-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 2859566
2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-nitrobenzamide
CID 115936642
4-methyl-3-nitro-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361103
N-(4-bromophenyl)-2-(methylamino)-3-nitrobenzamide
CID 115936424
2-(methylamino)-N-(2-methylphenyl)-3-nitrobenzamide
CID 115936448
[2-(1,3-thiazol-2-ylcarbamoyl)phenyl] nitrate
CID 90933824
N-(2-iodophenyl)-2-(methylamino)-3-nitrobenzamide
CID 115936457

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-nitro-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-(methylamino)-3-nitro-N-(1,3-thiazol-2-yl)benzamide (CID 112580537) is 2-(methylamino)-3-nitro-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-(methylamino)-3-nitro-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-(methylamino)-3-nitro-N-(1,3-thiazol-2-yl)benzamide is CNc1c(C(=O)Nc2nccs2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(methylamino)-3-nitro-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is PFYJBGHFYLUVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3S/c1-12-9-7(3-2-4-8(9)15(17)18)10(16)14-11-13-5-6-19-11/h2-6,12H,1H3,(H,13,14,16).
What are the key properties of 2-(methylamino)-3-nitro-N-(1,3-thiazol-2-yl)benzamide?
2-(methylamino)-3-nitro-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 278.29 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-nitro-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 112580537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).