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

C9H8ClN5O2S — CID 65475451

IUPACN-carbamoyl-2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetamide
SMILESNC(=O)NC(=O)CNc1c(Cl)ccc2nsnc12
InChIInChI=1S/C9H8ClN5O2S/c10-4-1-2-5-8(15-18-14-5)7(4)12-3-6(16)13-9(11)17/h1-2,12H,3H2,(H3,11,13,16,17)
InChIKeyZUYLSYVMPVQXLK-UHFFFAOYSA-N
MW285.72 g/mol
LogP0.95
Rot. Bonds3

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

N-carbamoyl-2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetamide (PubChem CID 65475451) has the molecular formula C9H8ClN5O2S and a molecular weight of 285.72 g/mol. Its IUPAC name is N-carbamoyl-2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetamide
PubChem CID65475451
Molecular FormulaC9H8ClN5O2S
Molecular Weight285.72 g/mol
Exact Mass285.01
IUPAC NameN-carbamoyl-2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetamide
SMILESNC(=O)NC(=O)CNc1c(Cl)ccc2nsnc12
InChIInChI=1S/C9H8ClN5O2S/c10-4-1-2-5-8(15-18-14-5)7(4)12-3-6(16)13-9(11)17/h1-2,12H,3H2,(H3,11,13,16,17)
InChIKeyZUYLSYVMPVQXLK-UHFFFAOYSA-N
XLogP0.95
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.72
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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
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]-N-(2-methoxyethyl)acetamide
CID 65474290
2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-N,N-diethylacetamide
CID 65475258
N-carbamoyl-2-(2,6-dichloroanilino)acetamide
CID 65469010
2-amino-N-[2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-2-oxoethyl]acetamide
CID 65475114
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 2994664
ethyl 2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]ethanimidate
CID 123391459
5-chloro-N-prop-2-ynyl-2,1,3-benzothiadiazol-4-amine
CID 65473847
3-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamoylamino]butanoic acid
CID 65451539
N-butyl-5-chloro-2,1,3-benzothiadiazol-4-amine
CID 65475994

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetamide?
The IUPAC name of N-carbamoyl-2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetamide (CID 65475451) is N-carbamoyl-2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetamide.
What is the SMILES notation for N-carbamoyl-2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetamide?
The canonical SMILES for N-carbamoyl-2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetamide is NC(=O)NC(=O)CNc1c(Cl)ccc2nsnc12.
What is the InChIKey of N-carbamoyl-2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetamide?
The InChIKey is ZUYLSYVMPVQXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O2S/c10-4-1-2-5-8(15-18-14-5)7(4)12-3-6(16)13-9(11)17/h1-2,12H,3H2,(H3,11,13,16,17).
What are the key properties of N-carbamoyl-2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetamide?
N-carbamoyl-2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetamide has a molecular weight of 285.72 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]acetamide is sourced from PubChem (CID 65475451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).