2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2-methoxyethyl)acetamide

C11H13ClN4O2S — CID 65474290

IUPAC2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1c(Cl)ccc2nsnc12
InChIInChI=1S/C11H13ClN4O2S/c1-18-5-4-13-9(17)6-14-10-7(12)2-3-8-11(10)16-19-15-8/h2-3,14H,4-6H2,1H3,(H,13,17)
InChIKeyHWRTUXPRZQCTKJ-UHFFFAOYSA-N
MW300.77 g/mol
LogP1.52
Rot. Bonds6

About 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2-methoxyethyl)acetamide

2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2-methoxyethyl)acetamide (PubChem CID 65474290) has the molecular formula C11H13ClN4O2S and a molecular weight of 300.77 g/mol. Its IUPAC name is 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2-methoxyethyl)acetamide
PubChem CID65474290
Molecular FormulaC11H13ClN4O2S
Molecular Weight300.77 g/mol
Exact Mass300.04
IUPAC Name2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1c(Cl)ccc2nsnc12
InChIInChI=1S/C11H13ClN4O2S/c1-18-5-4-13-9(17)6-14-10-7(12)2-3-8-11(10)16-19-15-8/h2-3,14H,4-6H2,1H3,(H,13,17)
InChIKeyHWRTUXPRZQCTKJ-UHFFFAOYSA-N
XLogP1.52
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(2-methoxyethyl)-2,1,3-benzothiadiazol-4-amine
CID 65474285
N-carbamoyl-2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetamide
CID 65475451
2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N,N-diethylacetamide
CID 65475258
5-chloro-N-prop-2-ynyl-2,1,3-benzothiadiazol-4-amine
CID 65473847
2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347241
2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide
CID 115575489
1-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-3-methylbutan-2-ol
CID 114249504
2-(4-tert-butylphenoxy)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 17098726
3-(2,6-dichloroanilino)-N-(2-methoxyethyl)propanamide
CID 109015134
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-(4-chlorophenoxy)-2-methylpropanamide
CID 17335822
N-(3-methoxypropyl)-2-(2,4,6-trichloroanilino)acetamide
CID 61486510
5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2,1,3-benzothiadiazol-4-amine
CID 82890060

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2-methoxyethyl)acetamide (CID 65474290) is 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNc1c(Cl)ccc2nsnc12.
What is the InChIKey of 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is HWRTUXPRZQCTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S/c1-18-5-4-13-9(17)6-14-10-7(12)2-3-8-11(10)16-19-15-8/h2-3,14H,4-6H2,1H3,(H,13,17).
What are the key properties of 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2-methoxyethyl)acetamide?
2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 300.77 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 65474290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).