2-(2-aminopropylsulfanyl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide

C11H14N4OS2 — CID 66219437

IUPAC2-(2-aminopropylsulfanyl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide
SMILESCC(N)CSCC(=O)Nc1cccc2nsnc12
InChIInChI=1S/C11H14N4OS2/c1-7(12)5-17-6-10(16)13-8-3-2-4-9-11(8)15-18-14-9/h2-4,7H,5-6,12H2,1H3,(H,13,16)
InChIKeyYZRWYNADHPCMDT-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.71
Rot. Bonds5

About 2-(2-aminopropylsulfanyl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide

2-(2-aminopropylsulfanyl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide (PubChem CID 66219437) has the molecular formula C11H14N4OS2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(2-aminopropylsulfanyl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-aminopropylsulfanyl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide
PubChem CID66219437
Molecular FormulaC11H14N4OS2
Molecular Weight282.39 g/mol
Exact Mass282.06
IUPAC Name2-(2-aminopropylsulfanyl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide
SMILESCC(N)CSCC(=O)Nc1cccc2nsnc12
InChIInChI=1S/C11H14N4OS2/c1-7(12)5-17-6-10(16)13-8-3-2-4-9-11(8)15-18-14-9/h2-4,7H,5-6,12H2,1H3,(H,13,16)
InChIKeyYZRWYNADHPCMDT-UHFFFAOYSA-N
XLogP1.71
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-amino-2-methylpropyl)sulfanyl-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 66227687
2-amino-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 110470032
N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 7484468
N-(2,1,3-benzothiadiazol-4-yl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide
CID 46639092
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 42949652
N-(2,1,3-benzothiadiazol-4-yl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 146025369
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227914
N-(2,1,3-benzothiadiazol-4-yl)-2-ethylbutanamide
CID 20931137
2-[2-aminoethyl(methyl)amino]-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 55103464
2-(3-aminoazetidin-1-yl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 65249909
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 30688622
N-(2,1,3-benzothiadiazol-4-yl)-2-bromo-3-methylbutanamide
CID 43470774

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropylsulfanyl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide?
The IUPAC name of 2-(2-aminopropylsulfanyl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide (CID 66219437) is 2-(2-aminopropylsulfanyl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide.
What is the SMILES notation for 2-(2-aminopropylsulfanyl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide?
The canonical SMILES for 2-(2-aminopropylsulfanyl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide is CC(N)CSCC(=O)Nc1cccc2nsnc12.
What is the InChIKey of 2-(2-aminopropylsulfanyl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide?
The InChIKey is YZRWYNADHPCMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS2/c1-7(12)5-17-6-10(16)13-8-3-2-4-9-11(8)15-18-14-9/h2-4,7H,5-6,12H2,1H3,(H,13,16).
What are the key properties of 2-(2-aminopropylsulfanyl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide?
2-(2-aminopropylsulfanyl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide has a molecular weight of 282.39 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropylsulfanyl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide is sourced from PubChem (CID 66219437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).