4-bromo-3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide

C10H5BrClN3O3S — CID 81307785

IUPAC4-bromo-3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H5BrClN3O3S/c11-6-2-1-5(3-7(6)12)9(16)14-10-13-4-8(19-10)15(17)18/h1-4H,(H,13,14,16)
InChIKeyZXNHAWSVKNACCW-UHFFFAOYSA-N
MW362.59 g/mol
LogP3.72
Rot. Bonds3

About 4-bromo-3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide

4-bromo-3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide (PubChem CID 81307785) has the molecular formula C10H5BrClN3O3S and a molecular weight of 362.59 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
PubChem CID81307785
Molecular FormulaC10H5BrClN3O3S
Molecular Weight362.59 g/mol
Exact Mass360.89
IUPAC Name4-bromo-3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H5BrClN3O3S/c11-6-2-1-5(3-7(6)12)9(16)14-10-13-4-8(19-10)15(17)18/h1-4H,(H,13,14,16)
InChIKeyZXNHAWSVKNACCW-UHFFFAOYSA-N
XLogP3.72
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.59
LogP ≤ 53.72
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

3,5-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 107980172
2,4-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 107951779
4-benzoyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 3454612
4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 3113439
[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3,4-dichlorobenzoate
CID 23847407
3-cyclopropyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 168863211
N-(5-amino-1,3,4-thiadiazol-2-yl)-4-bromo-3-chlorobenzamide
CID 81306935
4-bromo-3-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 80973968
N-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide
CID 107619731
4-bromo-3-chloro-N-(thiatriazol-5-yl)benzamide
CID 114912794
methyl N-[1-methyl-6-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]benzimidazol-2-yl]carbamate
CID 72725188
3-bromo-4-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzenesulfonamide
CID 106611531

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide (CID 81307785) is 4-bromo-3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide is O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The InChIKey is ZXNHAWSVKNACCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClN3O3S/c11-6-2-1-5(3-7(6)12)9(16)14-10-13-4-8(19-10)15(17)18/h1-4H,(H,13,14,16).
What are the key properties of 4-bromo-3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
4-bromo-3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide has a molecular weight of 362.59 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 81307785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).