2-(2-aminoethoxy)-N-(5-nitro-1,3-thiazol-2-yl)benzamide;hydrochloride

C12H13ClN4O4S — CID 46898577

IUPAC2-(2-aminoethoxy)-N-(5-nitro-1,3-thiazol-2-yl)benzamide;hydrochloride
SMILESCl.NCCOc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C12H12N4O4S.ClH/c13-5-6-20-9-4-2-1-3-8(9)11(17)15-12-14-7-10(21-12)16(18)19;/h1-4,7H,5-6,13H2,(H,14,15,17);1H
InChIKeyCPHGRXIHXJKSRD-UHFFFAOYSA-N
MW344.78 g/mol
LogP2.06
Rot. Bonds6

About 2-(2-aminoethoxy)-N-(5-nitro-1,3-thiazol-2-yl)benzamide;hydrochloride

2-(2-aminoethoxy)-N-(5-nitro-1,3-thiazol-2-yl)benzamide;hydrochloride (PubChem CID 46898577) has the molecular formula C12H13ClN4O4S and a molecular weight of 344.78 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(5-nitro-1,3-thiazol-2-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(5-nitro-1,3-thiazol-2-yl)benzamide;hydrochloride
PubChem CID46898577
Molecular FormulaC12H13ClN4O4S
Molecular Weight344.78 g/mol
Exact Mass344.03
IUPAC Name2-(2-aminoethoxy)-N-(5-nitro-1,3-thiazol-2-yl)benzamide;hydrochloride
SMILESCl.NCCOc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C12H12N4O4S.ClH/c13-5-6-20-9-4-2-1-3-8(9)11(17)15-12-14-7-10(21-12)16(18)19;/h1-4,7H,5-6,13H2,(H,14,15,17);1H
InChIKeyCPHGRXIHXJKSRD-UHFFFAOYSA-N
XLogP2.06
TPSA120.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.78
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(5-nitro-1,3-thiazol-2-yl)benzamide;hydrochloride?
The IUPAC name of 2-(2-aminoethoxy)-N-(5-nitro-1,3-thiazol-2-yl)benzamide;hydrochloride (CID 46898577) is 2-(2-aminoethoxy)-N-(5-nitro-1,3-thiazol-2-yl)benzamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(5-nitro-1,3-thiazol-2-yl)benzamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethoxy)-N-(5-nitro-1,3-thiazol-2-yl)benzamide;hydrochloride is Cl.NCCOc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of 2-(2-aminoethoxy)-N-(5-nitro-1,3-thiazol-2-yl)benzamide;hydrochloride?
The InChIKey is CPHGRXIHXJKSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4S.ClH/c13-5-6-20-9-4-2-1-3-8(9)11(17)15-12-14-7-10(21-12)16(18)19;/h1-4,7H,5-6,13H2,(H,14,15,17);1H.
What are the key properties of 2-(2-aminoethoxy)-N-(5-nitro-1,3-thiazol-2-yl)benzamide;hydrochloride?
2-(2-aminoethoxy)-N-(5-nitro-1,3-thiazol-2-yl)benzamide;hydrochloride has a molecular weight of 344.78 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(5-nitro-1,3-thiazol-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 46898577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).