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

C12H13Cl2N5OS — CID 43790039

IUPAC4-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(Nc2c(Cl)cc(Cl)c3nsnc23)CC1
InChIInChI=1S/C12H13Cl2N5OS/c13-7-5-8(14)10-11(18-21-17-10)9(7)16-6-1-3-19(4-2-6)12(15)20/h5-6,16H,1-4H2,(H2,15,20)
InChIKeyIMMLCTYDYRGDSL-UHFFFAOYSA-N
MW346.24 g/mol
LogP2.95
Rot. Bonds2

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

4-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]piperidine-1-carboxamide (PubChem CID 43790039) has the molecular formula C12H13Cl2N5OS and a molecular weight of 346.24 g/mol. Its IUPAC name is 4-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]piperidine-1-carboxamide
PubChem CID43790039
Molecular FormulaC12H13Cl2N5OS
Molecular Weight346.24 g/mol
Exact Mass345.02
IUPAC Name4-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(Nc2c(Cl)cc(Cl)c3nsnc23)CC1
InChIInChI=1S/C12H13Cl2N5OS/c13-7-5-8(14)10-11(18-21-17-10)9(7)16-6-1-3-19(4-2-6)12(15)20/h5-6,16H,1-4H2,(H2,15,20)
InChIKeyIMMLCTYDYRGDSL-UHFFFAOYSA-N
XLogP2.95
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dichloro-N-(1-methylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine
CID 62977093
1-(4-aminopiperidin-1-yl)-2-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]ethanone
CID 134531707
5,7-dichloro-N-(3,4-dimethylcyclohexyl)-2,1,3-benzothiadiazol-4-amine
CID 64746394
1-[4-(2,4,6-trichloroanilino)piperidin-1-yl]ethanone
CID 43773654
4-(3-carbamoyl-4-chloroanilino)piperidine-1-carboxamide
CID 43784539
2-(4-aminopyrazol-1-yl)-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 65474419
4-(5-bromo-2-chloroanilino)piperidine-1-carboxamide
CID 62913744
1-[4-(4-bromo-2,6-dichloroanilino)piperidin-1-yl]ethanone
CID 43773718
5-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-2,1,3-benzothiadiazol-4-amine
CID 65474046
N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-6-oxopiperidine-3-carboxamide
CID 76896736
4-(3,5-difluoroanilino)piperidine-1-carboxamide
CID 43765044
4-(3-chloro-4-methoxyanilino)piperidine-1-carboxamide
CID 43758136

Frequently Asked Questions

What is the IUPAC name of 4-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]piperidine-1-carboxamide?
The IUPAC name of 4-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]piperidine-1-carboxamide (CID 43790039) is 4-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]piperidine-1-carboxamide?
The canonical SMILES for 4-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]piperidine-1-carboxamide is NC(=O)N1CCC(Nc2c(Cl)cc(Cl)c3nsnc23)CC1.
What is the InChIKey of 4-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]piperidine-1-carboxamide?
The InChIKey is IMMLCTYDYRGDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N5OS/c13-7-5-8(14)10-11(18-21-17-10)9(7)16-6-1-3-19(4-2-6)12(15)20/h5-6,16H,1-4H2,(H2,15,20).
What are the key properties of 4-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]piperidine-1-carboxamide?
4-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]piperidine-1-carboxamide has a molecular weight of 346.24 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 43790039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).