N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)acetamide

C11H10ClN5OS — CID 126456190

IUPACN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)acetamide
SMILESCC(=O)N(C1=NCCN1)c1c(Cl)ccc2nsnc12
InChIInChI=1S/C11H10ClN5OS/c1-6(18)17(11-13-4-5-14-11)10-7(12)2-3-8-9(10)16-19-15-8/h2-3H,4-5H2,1H3,(H,13,14)
InChIKeyRTQCUTXEACEAOI-UHFFFAOYSA-N
MW295.75 g/mol
LogP1.66
Rot. Bonds1

About N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)acetamide

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)acetamide (PubChem CID 126456190) has the molecular formula C11H10ClN5OS and a molecular weight of 295.75 g/mol. Its IUPAC name is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)acetamide
PubChem CID126456190
Molecular FormulaC11H10ClN5OS
Molecular Weight295.75 g/mol
Exact Mass295.03
IUPAC NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)acetamide
SMILESCC(=O)N(C1=NCCN1)c1c(Cl)ccc2nsnc12
InChIInChI=1S/C11H10ClN5OS/c1-6(18)17(11-13-4-5-14-11)10-7(12)2-3-8-9(10)16-19-15-8/h2-3H,4-5H2,1H3,(H,13,14)
InChIKeyRTQCUTXEACEAOI-UHFFFAOYSA-N
XLogP1.66
TPSA70.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)acetamide?
The IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)acetamide (CID 126456190) is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)acetamide?
The canonical SMILES for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)acetamide is CC(=O)N(C1=NCCN1)c1c(Cl)ccc2nsnc12.
What is the InChIKey of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)acetamide?
The InChIKey is RTQCUTXEACEAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5OS/c1-6(18)17(11-13-4-5-14-11)10-7(12)2-3-8-9(10)16-19-15-8/h2-3H,4-5H2,1H3,(H,13,14).
What are the key properties of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)acetamide?
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)acetamide has a molecular weight of 295.75 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)acetamide is sourced from PubChem (CID 126456190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).