3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide

C14H15ClN4OS — CID 65475498

IUPAC3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)Nc1c(Cl)ccc2nsnc12
InChIInChI=1S/C14H15ClN4OS/c15-8-3-4-9-13(19-21-18-9)12(8)17-14(20)10-6-1-2-7(5-6)11(10)16/h3-4,6-7,10-11H,1-2,5,16H2,(H,17,20)
InChIKeyYVZKCBGUQIWVQZ-UHFFFAOYSA-N
MW322.82 g/mol
LogP2.66
Rot. Bonds2

About 3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 65475498) has the molecular formula C14H15ClN4OS and a molecular weight of 322.82 g/mol. Its IUPAC name is 3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID65475498
Molecular FormulaC14H15ClN4OS
Molecular Weight322.82 g/mol
Exact Mass322.07
IUPAC Name3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)Nc1c(Cl)ccc2nsnc12
InChIInChI=1S/C14H15ClN4OS/c15-8-3-4-9-13(19-21-18-9)12(8)17-14(20)10-6-1-2-7(5-6)11(10)16/h3-4,6-7,10-11H,1-2,5,16H2,(H,17,20)
InChIKeyYVZKCBGUQIWVQZ-UHFFFAOYSA-N
XLogP2.66
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-sulfanylidenepropanamide
CID 65476115
3-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119745120
3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
CID 65474532
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,4-dihydroxybenzamide
CID 136904601
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-6-hydrazinylpyridine-2-carboxamide
CID 65452778
3-amino-N-(6-chloropyrimidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 114049450
3-amino-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119671159
3-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119718964
3-amino-N-(4-bromo-2,3-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 107790133
2-(aminomethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-ethylbutanamide
CID 115432610
6-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
CID 66464939
N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)cyclopropanecarboxamide
CID 64593204

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide (CID 65475498) is 3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)Nc1c(Cl)ccc2nsnc12.
What is the InChIKey of 3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is YVZKCBGUQIWVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4OS/c15-8-3-4-9-13(19-21-18-9)12(8)17-14(20)10-6-1-2-7(5-6)11(10)16/h3-4,6-7,10-11H,1-2,5,16H2,(H,17,20).
What are the key properties of 3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 322.82 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 65475498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).