3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide

C10H11ClN4OS — CID 65474532

IUPAC3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
SMILESCC(CN)C(=O)Nc1c(Cl)ccc2nsnc12
InChIInChI=1S/C10H11ClN4OS/c1-5(4-12)10(16)13-8-6(11)2-3-7-9(8)15-17-14-7/h2-3,5H,4,12H2,1H3,(H,13,16)
InChIKeyHKMLWFHSGWZPGX-UHFFFAOYSA-N
MW270.75 g/mol
LogP1.88
Rot. Bonds3

About 3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide

3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide (PubChem CID 65474532) has the molecular formula C10H11ClN4OS and a molecular weight of 270.75 g/mol. Its IUPAC name is 3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
PubChem CID65474532
Molecular FormulaC10H11ClN4OS
Molecular Weight270.75 g/mol
Exact Mass270.03
IUPAC Name3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
SMILESCC(CN)C(=O)Nc1c(Cl)ccc2nsnc12
InChIInChI=1S/C10H11ClN4OS/c1-5(4-12)10(16)13-8-6(11)2-3-7-9(8)15-17-14-7/h2-3,5H,4,12H2,1H3,(H,13,16)
InChIKeyHKMLWFHSGWZPGX-UHFFFAOYSA-N
XLogP1.88
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.75
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
CID 17335846
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 2994664
2-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)propane-1,2-diamine
CID 103390190
3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-sulfanylidenepropanamide
CID 65476115
6-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-ethylhexanamide
CID 65473951
2-(aminomethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-ethylbutanamide
CID 115432610
3-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamoylamino]butanoic acid
CID 65451539
(2R)-2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamoylamino]pentanoic acid
CID 107567148
2-amino-N-[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-2-oxoethyl]acetamide
CID 65475114
2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-pentan-2-ylacetamide
CID 65474687
2-amino-3-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]propanamide
CID 103252291
dimethyl (E)-2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]but-2-enedioate
CID 168569373

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide?
The IUPAC name of 3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide (CID 65474532) is 3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide is CC(CN)C(=O)Nc1c(Cl)ccc2nsnc12.
What is the InChIKey of 3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide?
The InChIKey is HKMLWFHSGWZPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4OS/c1-5(4-12)10(16)13-8-6(11)2-3-7-9(8)15-17-14-7/h2-3,5H,4,12H2,1H3,(H,13,16).
What are the key properties of 3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide?
3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide has a molecular weight of 270.75 g/mol, XLogP of 1.88, 3 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)-2-methylpropanamide is sourced from PubChem (CID 65474532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).