2-[2-aminoethyl(methyl)amino]-N-(2,1,3-benzothiadiazol-4-yl)acetamide

C11H15N5OS — CID 55103464

IUPAC2-[2-aminoethyl(methyl)amino]-N-(2,1,3-benzothiadiazol-4-yl)acetamide
SMILESCN(CCN)CC(=O)Nc1cccc2nsnc12
InChIInChI=1S/C11H15N5OS/c1-16(6-5-12)7-10(17)13-8-3-2-4-9-11(8)15-18-14-9/h2-4H,5-7,12H2,1H3,(H,13,17)
InChIKeyHPPLAZQEESVSRP-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.52
Rot. Bonds5

About 2-[2-aminoethyl(methyl)amino]-N-(2,1,3-benzothiadiazol-4-yl)acetamide

2-[2-aminoethyl(methyl)amino]-N-(2,1,3-benzothiadiazol-4-yl)acetamide (PubChem CID 55103464) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-[2-aminoethyl(methyl)amino]-N-(2,1,3-benzothiadiazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(methyl)amino]-N-(2,1,3-benzothiadiazol-4-yl)acetamide
PubChem CID55103464
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name2-[2-aminoethyl(methyl)amino]-N-(2,1,3-benzothiadiazol-4-yl)acetamide
SMILESCN(CCN)CC(=O)Nc1cccc2nsnc12
InChIInChI=1S/C11H15N5OS/c1-16(6-5-12)7-10(17)13-8-3-2-4-9-11(8)15-18-14-9/h2-4H,5-7,12H2,1H3,(H,13,17)
InChIKeyHPPLAZQEESVSRP-UHFFFAOYSA-N
XLogP0.52
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,1,3-benzothiadiazol-4-yl)-2-[(4-bromophenyl)methyl-methylamino]acetamide
CID 31374291
2-amino-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 110470032
N-(2,1,3-benzothiadiazol-4-yl)-2-ethylbutanamide
CID 20931137
cis-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 7778043
2-(3-amino-2-methylpropyl)sulfanyl-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 66227687
ethyl 2-(N-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-4-fluoroanilino)acetate
CID 97029137
2-(2-aminopropylsulfanyl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 66219437
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 16523535
2-(3-aminoazetidin-1-yl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 65249909
N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 7484468
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-phenylacetate
CID 7874873
2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 62686094

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-(2,1,3-benzothiadiazol-4-yl)acetamide?
The IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-(2,1,3-benzothiadiazol-4-yl)acetamide (CID 55103464) is 2-[2-aminoethyl(methyl)amino]-N-(2,1,3-benzothiadiazol-4-yl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl(methyl)amino]-N-(2,1,3-benzothiadiazol-4-yl)acetamide?
The canonical SMILES for 2-[2-aminoethyl(methyl)amino]-N-(2,1,3-benzothiadiazol-4-yl)acetamide is CN(CCN)CC(=O)Nc1cccc2nsnc12.
What is the InChIKey of 2-[2-aminoethyl(methyl)amino]-N-(2,1,3-benzothiadiazol-4-yl)acetamide?
The InChIKey is HPPLAZQEESVSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-16(6-5-12)7-10(17)13-8-3-2-4-9-11(8)15-18-14-9/h2-4H,5-7,12H2,1H3,(H,13,17).
What are the key properties of 2-[2-aminoethyl(methyl)amino]-N-(2,1,3-benzothiadiazol-4-yl)acetamide?
2-[2-aminoethyl(methyl)amino]-N-(2,1,3-benzothiadiazol-4-yl)acetamide has a molecular weight of 265.34 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(methyl)amino]-N-(2,1,3-benzothiadiazol-4-yl)acetamide is sourced from PubChem (CID 55103464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).