5-(2-aminoethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-1,3,4-oxadiazol-2-amine

C10H9ClN6OS — CID 106961766

IUPAC5-(2-aminoethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-1,3,4-oxadiazol-2-amine
SMILESNCCc1nnc(Nc2c(Cl)ccc3nsnc23)o1
InChIInChI=1S/C10H9ClN6OS/c11-5-1-2-6-9(17-19-16-6)8(5)13-10-15-14-7(18-10)3-4-12/h1-2H,3-4,12H2,(H,13,15)
InChIKeyPKDCXAYPYAOMFF-UHFFFAOYSA-N
MW296.74 g/mol
LogP1.97
Rot. Bonds4

About 5-(2-aminoethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-1,3,4-oxadiazol-2-amine

5-(2-aminoethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 106961766) has the molecular formula C10H9ClN6OS and a molecular weight of 296.74 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-1,3,4-oxadiazol-2-amine
PubChem CID106961766
Molecular FormulaC10H9ClN6OS
Molecular Weight296.74 g/mol
Exact Mass296.02
IUPAC Name5-(2-aminoethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-1,3,4-oxadiazol-2-amine
SMILESNCCc1nnc(Nc2c(Cl)ccc3nsnc23)o1
InChIInChI=1S/C10H9ClN6OS/c11-5-1-2-6-9(17-19-16-6)8(5)13-10-15-14-7(18-10)3-4-12/h1-2H,3-4,12H2,(H,13,15)
InChIKeyPKDCXAYPYAOMFF-UHFFFAOYSA-N
XLogP1.97
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(2-aminoethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

5-chloro-N-(4-chloro-1,2,5-thiadiazol-3-yl)-2,1,3-benzothiadiazol-4-amine
CID 65451949
5-(2-aminoethyl)-N-(2,6-dibromo-4-chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 114209258
1-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2,6-difluorobenzene-1,4-diamine
CID 65475234
2-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)propane-1,2-diamine
CID 103390190
5-chloro-N-(3,6-dichloro-1,2,4-triazin-5-yl)-2,1,3-benzothiadiazol-4-amine
CID 81036789
5-(aminomethyl)-N-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine
CID 106966767
3,5-dichloro-6-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-2,6-diamine
CID 102758727
4-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyrimidine-2,4-diamine
CID 80843558
5-chloro-N-prop-2-ynyl-2,1,3-benzothiadiazol-4-amine
CID 65473847
N-[(3-aminothiophen-2-yl)methyl]-5-chloro-2,1,3-benzothiadiazol-4-amine
CID 66387617
N-carbamoyl-2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetamide
CID 65475451
5-(aminomethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)thiophene-2-sulfonamide
CID 65452961

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-1,3,4-oxadiazol-2-amine (CID 106961766) is 5-(2-aminoethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-1,3,4-oxadiazol-2-amine is NCCc1nnc(Nc2c(Cl)ccc3nsnc23)o1.
What is the InChIKey of 5-(2-aminoethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is PKDCXAYPYAOMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN6OS/c11-5-1-2-6-9(17-19-16-6)8(5)13-10-15-14-7(18-10)3-4-12/h1-2H,3-4,12H2,(H,13,15).
What are the key properties of 5-(2-aminoethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-1,3,4-oxadiazol-2-amine?
5-(2-aminoethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 296.74 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106961766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).