2-amino-3-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]propanamide

C9H10ClN5OS — CID 103252291

IUPAC2-amino-3-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]propanamide
SMILESNC(=O)C(N)CNc1c(Cl)ccc2nsnc12
InChIInChI=1S/C9H10ClN5OS/c10-4-1-2-6-8(15-17-14-6)7(4)13-3-5(11)9(12)16/h1-2,5,13H,3,11H2,(H2,12,16)
InChIKeyWPELSWIXMKWKEW-UHFFFAOYSA-N
MW271.73 g/mol
LogP0.57
Rot. Bonds4

About 2-amino-3-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]propanamide

2-amino-3-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]propanamide (PubChem CID 103252291) has the molecular formula C9H10ClN5OS and a molecular weight of 271.73 g/mol. Its IUPAC name is 2-amino-3-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]propanamide.

Molecular Properties

Compound Name2-amino-3-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]propanamide
PubChem CID103252291
Molecular FormulaC9H10ClN5OS
Molecular Weight271.73 g/mol
Exact Mass271.03
IUPAC Name2-amino-3-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]propanamide
SMILESNC(=O)C(N)CNc1c(Cl)ccc2nsnc12
InChIInChI=1S/C9H10ClN5OS/c10-4-1-2-6-8(15-17-14-6)7(4)13-3-5(11)9(12)16/h1-2,5,13H,3,11H2,(H2,12,16)
InChIKeyWPELSWIXMKWKEW-UHFFFAOYSA-N
XLogP0.57
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-carbamoyl-2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetamide
CID 65475451
1-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-3-methylbutan-2-ol
CID 114249504
3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-sulfanylidenepropanamide
CID 65476115
2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-1-phenylethanol
CID 65475457
2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-1-(4-chlorophenyl)ethanol
CID 65476042
2-amino-3-(2,6-dichloroanilino)propanamide
CID 103252602
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 2994664
2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N-pentan-2-ylacetamide
CID 65474687
3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
CID 65474532
2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N,N-diethylacetamide
CID 65475258
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
CID 17335846
3-[(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)amino]-2-methylpropanamide
CID 65474663

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]propanamide?
The IUPAC name of 2-amino-3-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]propanamide (CID 103252291) is 2-amino-3-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]propanamide.
What is the SMILES notation for 2-amino-3-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]propanamide?
The canonical SMILES for 2-amino-3-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]propanamide is NC(=O)C(N)CNc1c(Cl)ccc2nsnc12.
What is the InChIKey of 2-amino-3-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]propanamide?
The InChIKey is WPELSWIXMKWKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5OS/c10-4-1-2-6-8(15-17-14-6)7(4)13-3-5(11)9(12)16/h1-2,5,13H,3,11H2,(H2,12,16).
What are the key properties of 2-amino-3-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]propanamide?
2-amino-3-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]propanamide has a molecular weight of 271.73 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]propanamide is sourced from PubChem (CID 103252291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).