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

C12H15ClN4OS — CID 65475258

IUPAC2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNc1c(Cl)ccc2nsnc12
InChIInChI=1S/C12H15ClN4OS/c1-3-17(4-2)10(18)7-14-11-8(13)5-6-9-12(11)16-19-15-9/h5-6,14H,3-4,7H2,1-2H3
InChIKeyDBSRLJGVZHFQPE-UHFFFAOYSA-N
MW298.80 g/mol
LogP2.62
Rot. Bonds5

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

2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N,N-diethylacetamide (PubChem CID 65475258) has the molecular formula C12H15ClN4OS and a molecular weight of 298.80 g/mol. Its IUPAC name is 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N,N-diethylacetamide
PubChem CID65475258
Molecular FormulaC12H15ClN4OS
Molecular Weight298.80 g/mol
Exact Mass298.07
IUPAC Name2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNc1c(Cl)ccc2nsnc12
InChIInChI=1S/C12H15ClN4OS/c1-3-17(4-2)10(18)7-14-11-8(13)5-6-9-12(11)16-19-15-9/h5-6,14H,3-4,7H2,1-2H3
InChIKeyDBSRLJGVZHFQPE-UHFFFAOYSA-N
XLogP2.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-pentan-2-ylacetamide
CID 65474687
N-carbamoyl-2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetamide
CID 65475451
ethyl 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]ethanimidate
CID 123391459
2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 65474290
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 2994664
N-butyl-5-chloro-2,1,3-benzothiadiazol-4-amine
CID 65475994
5-chloro-N-hexyl-2,1,3-benzothiadiazol-4-amine
CID 65473471
3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-sulfanylidenepropanamide
CID 65476115
2-(aminomethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-ethylbutanamide
CID 115432610
5-chloro-N-(4-methylpentyl)-2,1,3-benzothiadiazol-4-amine
CID 83156138
3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
CID 65474532
2-amino-N-[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-2-oxoethyl]acetamide
CID 65475114

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N,N-diethylacetamide?
The IUPAC name of 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N,N-diethylacetamide (CID 65475258) is 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N,N-diethylacetamide is CCN(CC)C(=O)CNc1c(Cl)ccc2nsnc12.
What is the InChIKey of 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N,N-diethylacetamide?
The InChIKey is DBSRLJGVZHFQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4OS/c1-3-17(4-2)10(18)7-14-11-8(13)5-6-9-12(11)16-19-15-9/h5-6,14H,3-4,7H2,1-2H3.
What are the key properties of 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N,N-diethylacetamide?
2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N,N-diethylacetamide has a molecular weight of 298.80 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N,N-diethylacetamide is sourced from PubChem (CID 65475258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).