2-amino-N-[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-2-oxoethyl]acetamide

C10H10ClN5O2S — CID 65475114

IUPAC2-amino-N-[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)Nc1c(Cl)ccc2nsnc12
InChIInChI=1S/C10H10ClN5O2S/c11-5-1-2-6-10(16-19-15-6)9(5)14-8(18)4-13-7(17)3-12/h1-2H,3-4,12H2,(H,13,17)(H,14,18)
InChIKeyKBPIUOTXJGYHJR-UHFFFAOYSA-N
MW299.74 g/mol
LogP0.36
Rot. Bonds4

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

2-amino-N-[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-2-oxoethyl]acetamide (PubChem CID 65475114) has the molecular formula C10H10ClN5O2S and a molecular weight of 299.74 g/mol. Its IUPAC name is 2-amino-N-[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-2-oxoethyl]acetamide
PubChem CID65475114
Molecular FormulaC10H10ClN5O2S
Molecular Weight299.74 g/mol
Exact Mass299.02
IUPAC Name2-amino-N-[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)Nc1c(Cl)ccc2nsnc12
InChIInChI=1S/C10H10ClN5O2S/c11-5-1-2-6-10(16-19-15-6)9(5)14-8(18)4-13-7(17)3-12/h1-2H,3-4,12H2,(H,13,17)(H,14,18)
InChIKeyKBPIUOTXJGYHJR-UHFFFAOYSA-N
XLogP0.36
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-sulfanylidenepropanamide
CID 65476115
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 2994664
2-(aminomethyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-ethylbutanamide
CID 115432610
3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
CID 65474532
6-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-ethylhexanamide
CID 65473951
N-carbamoyl-2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetamide
CID 65475451
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
CID 17335846
3-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamoylamino]butanoic acid
CID 65451539
2,5-dichloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)benzamide
CID 17274617
5-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamoylamino]pentanoic acid
CID 65452554
2-amino-3-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]propanamide
CID 103252291
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide
CID 6471882

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-2-oxoethyl]acetamide (CID 65475114) is 2-amino-N-[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-2-oxoethyl]acetamide is NCC(=O)NCC(=O)Nc1c(Cl)ccc2nsnc12.
What is the InChIKey of 2-amino-N-[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-2-oxoethyl]acetamide?
The InChIKey is KBPIUOTXJGYHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O2S/c11-5-1-2-6-10(16-19-15-6)9(5)14-8(18)4-13-7(17)3-12/h1-2H,3-4,12H2,(H,13,17)(H,14,18).
What are the key properties of 2-amino-N-[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-2-oxoethyl]acetamide?
2-amino-N-[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-2-oxoethyl]acetamide has a molecular weight of 299.74 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 65475114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).