1-(4-aminopiperidin-1-yl)-2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethanone

C13H15Cl2N5OS — CID 134531707

IUPAC1-(4-aminopiperidin-1-yl)-2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethanone
SMILESNC1CCN(C(=O)CNc2c(Cl)cc(Cl)c3nsnc23)CC1
InChIInChI=1S/C13H15Cl2N5OS/c14-8-5-9(15)12-13(19-22-18-12)11(8)17-6-10(21)20-3-1-7(16)2-4-20/h5,7,17H,1-4,6,16H2
InChIKeyFEOUBEGWUDBBTE-UHFFFAOYSA-N
MW360.27 g/mol
LogP2.36
Rot. Bonds3

About 1-(4-aminopiperidin-1-yl)-2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethanone

1-(4-aminopiperidin-1-yl)-2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethanone (PubChem CID 134531707) has the molecular formula C13H15Cl2N5OS and a molecular weight of 360.27 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethanone.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethanone
PubChem CID134531707
Molecular FormulaC13H15Cl2N5OS
Molecular Weight360.27 g/mol
Exact Mass359.04
IUPAC Name1-(4-aminopiperidin-1-yl)-2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethanone
SMILESNC1CCN(C(=O)CNc2c(Cl)cc(Cl)c3nsnc23)CC1
InChIInChI=1S/C13H15Cl2N5OS/c14-8-5-9(15)12-13(19-22-18-12)11(8)17-6-10(21)20-3-1-7(16)2-4-20/h5,7,17H,1-4,6,16H2
InChIKeyFEOUBEGWUDBBTE-UHFFFAOYSA-N
XLogP2.36
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.27
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4-aminopiperidin-1-yl)-2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethanone with MolForge

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Related Compounds

2-(cyclopropylmethylamino)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 60866735
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
CID 119373866
2-(4-amino-2,6-dichloroanilino)-1-pyrrolidin-1-ylethanone
CID 106890724
1-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)cyclopentane-1-carboxamide
CID 60852266
2-(4-bromo-2,6-dichloroanilino)-1-pyrrolidin-1-ylethanone
CID 28993380
2-carbamothioyl-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)butanamide
CID 65475339
N-carbamoyl-2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetamide
CID 65475451
1-(4-aminopiperidin-1-yl)-2-(2-methoxyanilino)ethanone
CID 119373605
5,7-dichloro-N-methyl-2,1,3-benzothiadiazol-4-amine
CID 63090384
1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylethanone;hydrochloride
CID 119374934
ethyl 4-[2-(2-chloro-4,6-dimethylanilino)acetyl]piperazine-1-carboxylate
CID 109003879
1-(4-aminopiperidin-1-yl)-2-(2-nitroanilino)ethanone
CID 119375489

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethanone?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethanone (CID 134531707) is 1-(4-aminopiperidin-1-yl)-2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethanone.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethanone?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethanone is NC1CCN(C(=O)CNc2c(Cl)cc(Cl)c3nsnc23)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethanone?
The InChIKey is FEOUBEGWUDBBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N5OS/c14-8-5-9(15)12-13(19-22-18-12)11(8)17-6-10(21)20-3-1-7(16)2-4-20/h5,7,17H,1-4,6,16H2.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethanone?
1-(4-aminopiperidin-1-yl)-2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethanone has a molecular weight of 360.27 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethanone is sourced from PubChem (CID 134531707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).