N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide

C17H12ClN5OS2 — CID 43026580

IUPACN-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
SMILESO=C(CSc1nccn1-c1cccc(Cl)c1)Nc1cccc2nsnc12
InChIInChI=1S/C17H12ClN5OS2/c18-11-3-1-4-12(9-11)23-8-7-19-17(23)25-10-15(24)20-13-5-2-6-14-16(13)22-26-21-14/h1-9H,10H2,(H,20,24)
InChIKeyKKWOOCWXVAJHDS-UHFFFAOYSA-N
MW401.90 g/mol
LogP4.26
Rot. Bonds5

About N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide

N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 43026580) has the molecular formula C17H12ClN5OS2 and a molecular weight of 401.90 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID43026580
Molecular FormulaC17H12ClN5OS2
Molecular Weight401.90 g/mol
Exact Mass401.02
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
SMILESO=C(CSc1nccn1-c1cccc(Cl)c1)Nc1cccc2nsnc12
InChIInChI=1S/C17H12ClN5OS2/c18-11-3-1-4-12(9-11)23-8-7-19-17(23)25-10-15(24)20-13-5-2-6-14-16(13)22-26-21-14/h1-9H,10H2,(H,20,24)
InChIKeyKKWOOCWXVAJHDS-UHFFFAOYSA-N
XLogP4.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,1,3-benzothiadiazol-4-yl)-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 31677869
N-(3-chlorophenyl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 4061693
N-(2,1,3-benzothiadiazol-4-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 16587956
N-(2,1,3-benzothiadiazol-4-yl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetamide
CID 30684087
N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 3442292
2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-quinolin-5-ylacetamide
CID 43040259
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36621913
N-tert-butyl-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 17458683
N-(2,1,3-benzothiadiazol-4-yl)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4600027
N-(2,3-dimethylphenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 3253704
4-chloro-N'-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide
CID 46811521
N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 7484468

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide (CID 43026580) is N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide is O=C(CSc1nccn1-c1cccc(Cl)c1)Nc1cccc2nsnc12.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is KKWOOCWXVAJHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5OS2/c18-11-3-1-4-12(9-11)23-8-7-19-17(23)25-10-15(24)20-13-5-2-6-14-16(13)22-26-21-14/h1-9H,10H2,(H,20,24).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide?
N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 401.90 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 43026580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).