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

C11H7Cl2N3O3S — CID 107189531

IUPAC2,3-dichloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)benzamide
SMILESO=C(NCc1cncs1)c1cc([N+](=O)[O-])cc(Cl)c1Cl
InChIInChI=1S/C11H7Cl2N3O3S/c12-9-2-6(16(18)19)1-8(10(9)13)11(17)15-4-7-3-14-5-20-7/h1-3,5H,4H2,(H,15,17)
InChIKeyMAYNJFZPZIANNA-UHFFFAOYSA-N
MW332.17 g/mol
LogP3.29
Rot. Bonds4

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

2,3-dichloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)benzamide (PubChem CID 107189531) has the molecular formula C11H7Cl2N3O3S and a molecular weight of 332.17 g/mol. Its IUPAC name is 2,3-dichloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name2,3-dichloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)benzamide
PubChem CID107189531
Molecular FormulaC11H7Cl2N3O3S
Molecular Weight332.17 g/mol
Exact Mass330.96
IUPAC Name2,3-dichloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)benzamide
SMILESO=C(NCc1cncs1)c1cc([N+](=O)[O-])cc(Cl)c1Cl
InChIInChI=1S/C11H7Cl2N3O3S/c12-9-2-6(16(18)19)1-8(10(9)13)11(17)15-4-7-3-14-5-20-7/h1-3,5H,4H2,(H,15,17)
InChIKeyMAYNJFZPZIANNA-UHFFFAOYSA-N
XLogP3.29
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-chloro-5-nitro-2-(1,3-thiazol-5-ylmethylamino)benzoic acid
CID 107191316
2-chloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide
CID 104583556
N-(3-aminopropyl)-2,3-dichloro-5-nitrobenzamide
CID 107188563
2,3-dichloro-N-(4-chloro-3-pyridinyl)-5-nitrobenzamide
CID 107189329
2,3-dichloro-N-(2-hydroxy-3-methylbutyl)-5-nitrobenzamide
CID 107189473
2,3-dichloro-N-(2-ethyl-2-hydroxybutyl)-5-nitrobenzamide
CID 107189017
5-chloro-2-iodo-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579077
2,3-dichloro-N-hex-5-ynyl-5-nitrobenzamide
CID 106211244
2,3-dichloro-N-(4-hydroxy-2,2-dimethylbutyl)-5-nitrobenzamide
CID 106140061
N-(2-amino-3-methylbutyl)-2,3-dichloro-5-nitrobenzamide
CID 107191983
2,3-dichloro-N-[3-(ethylamino)-3-oxopropyl]-5-nitrobenzamide
CID 107189376
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,3-dichloro-5-nitrobenzamide
CID 107362916

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)benzamide?
The IUPAC name of 2,3-dichloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)benzamide (CID 107189531) is 2,3-dichloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)benzamide.
What is the SMILES notation for 2,3-dichloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)benzamide?
The canonical SMILES for 2,3-dichloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)benzamide is O=C(NCc1cncs1)c1cc([N+](=O)[O-])cc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)benzamide?
The InChIKey is MAYNJFZPZIANNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O3S/c12-9-2-6(16(18)19)1-8(10(9)13)11(17)15-4-7-3-14-5-20-7/h1-3,5H,4H2,(H,15,17).
What are the key properties of 2,3-dichloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)benzamide?
2,3-dichloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)benzamide has a molecular weight of 332.17 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)benzamide is sourced from PubChem (CID 107189531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).