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

C10H7ClN4O3S — CID 62154502

IUPAC4-amino-3-chloro-5-nitro-N-(1,3-thiazol-2-yl)benzamide
SMILESNc1c(Cl)cc(C(=O)Nc2nccs2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H7ClN4O3S/c11-6-3-5(4-7(8(6)12)15(17)18)9(16)14-10-13-1-2-19-10/h1-4H,12H2,(H,13,14,16)
InChIKeyYWBPHAXLUMHFGB-UHFFFAOYSA-N
MW298.71 g/mol
LogP2.54
Rot. Bonds3

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

4-amino-3-chloro-5-nitro-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 62154502) has the molecular formula C10H7ClN4O3S and a molecular weight of 298.71 g/mol. Its IUPAC name is 4-amino-3-chloro-5-nitro-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-chloro-5-nitro-N-(1,3-thiazol-2-yl)benzamide
PubChem CID62154502
Molecular FormulaC10H7ClN4O3S
Molecular Weight298.71 g/mol
Exact Mass297.99
IUPAC Name4-amino-3-chloro-5-nitro-N-(1,3-thiazol-2-yl)benzamide
SMILESNc1c(Cl)cc(C(=O)Nc2nccs2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H7ClN4O3S/c11-6-3-5(4-7(8(6)12)15(17)18)9(16)14-10-13-1-2-19-10/h1-4H,12H2,(H,13,14,16)
InChIKeyYWBPHAXLUMHFGB-UHFFFAOYSA-N
XLogP2.54
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.71
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-(methylamino)-5-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 62173212
4-amino-3-chloro-5-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 86046988
3,5-dinitro-N-(1,3-thiazol-2-yl)benzamide;hydrate
CID 139080774
4-amino-3-chloro-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide
CID 62152357
4-amino-N-(2-bromophenyl)-3-chloro-5-nitrobenzamide
CID 62154698
3-nitro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)benzamide
CID 4572034
4-anilino-3-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 27257229
3-acetyl-2-methyl-7-nitro-N-(1,3-thiazol-2-yl)-1H-indole-5-carboxamide
CID 174998906
2,5-difluoro-4-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 115736037
4-amino-3-chloro-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzamide
CID 64525774
2,5-difluoro-3-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 107121654
4-fluoro-2-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 2859566

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-5-nitro-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-amino-3-chloro-5-nitro-N-(1,3-thiazol-2-yl)benzamide (CID 62154502) is 4-amino-3-chloro-5-nitro-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-amino-3-chloro-5-nitro-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-amino-3-chloro-5-nitro-N-(1,3-thiazol-2-yl)benzamide is Nc1c(Cl)cc(C(=O)Nc2nccs2)cc1[N+](=O)[O-].
What is the InChIKey of 4-amino-3-chloro-5-nitro-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is YWBPHAXLUMHFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O3S/c11-6-3-5(4-7(8(6)12)15(17)18)9(16)14-10-13-1-2-19-10/h1-4H,12H2,(H,13,14,16).
What are the key properties of 4-amino-3-chloro-5-nitro-N-(1,3-thiazol-2-yl)benzamide?
4-amino-3-chloro-5-nitro-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 298.71 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-5-nitro-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 62154502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).