2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide

C11H8ClN3O3S — CID 2679272

IUPAC2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide
SMILESCc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1
InChIInChI=1S/C11H8ClN3O3S/c1-6-5-19-11(13-6)14-10(16)8-4-7(15(17)18)2-3-9(8)12/h2-5H,1H3,(H,13,14,16)
InChIKeyFKVWOXZMHFVJDM-UHFFFAOYSA-N
MW297.72 g/mol
LogP3.27
Rot. Bonds3

About 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide

2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide (PubChem CID 2679272) has the molecular formula C11H8ClN3O3S and a molecular weight of 297.72 g/mol. Its IUPAC name is 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide
PubChem CID2679272
Molecular FormulaC11H8ClN3O3S
Molecular Weight297.72 g/mol
Exact Mass297.00
IUPAC Name2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide
SMILESCc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1
InChIInChI=1S/C11H8ClN3O3S/c1-6-5-19-11(13-6)14-10(16)8-4-7(15(17)18)2-3-9(8)12/h2-5H,1H3,(H,13,14,16)
InChIKeyFKVWOXZMHFVJDM-UHFFFAOYSA-N
XLogP3.27
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 53.27
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

2-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-5-nitrobenzamide
CID 4310552
N-(4-methyl-1,3-thiazol-2-yl)-5-nitro-2-phenylsulfanylbenzamide
CID 4785487
ethyl 2-[2-[(2-chloro-5-nitrobenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 5167153
2-(2-methoxyethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide
CID 16963101
2-chloro-5-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 973569
2-chloro-5-nitro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 78775864
2-chloro-5-nitro-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 19226631
N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 902953
2-chloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 39015982
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-chloro-5-nitrobenzamide
CID 2329434
2-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-nitrobenzamide
CID 78776017
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide (CID 2679272) is 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide is Cc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1.
What is the InChIKey of 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide?
The InChIKey is FKVWOXZMHFVJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O3S/c1-6-5-19-11(13-6)14-10(16)8-4-7(15(17)18)2-3-9(8)12/h2-5H,1H3,(H,13,14,16).
What are the key properties of 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide?
2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide has a molecular weight of 297.72 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide is sourced from PubChem (CID 2679272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).