N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide

C18H14N4O4S2 — CID 44921935

IUPACN-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1nnc(CCS(=O)(=O)c2ccccc2)o1)c1ccc2ncsc2c1
InChIInChI=1S/C18H14N4O4S2/c23-17(12-6-7-14-15(10-12)27-11-19-14)20-18-22-21-16(26-18)8-9-28(24,25)13-4-2-1-3-5-13/h1-7,10-11H,8-9H2,(H,20,22,23)
InChIKeyYDHTTYLBGABZKN-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.95
Rot. Bonds6

About N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide

N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide (PubChem CID 44921935) has the molecular formula C18H14N4O4S2 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
PubChem CID44921935
Molecular FormulaC18H14N4O4S2
Molecular Weight414.47 g/mol
Exact Mass414.05
IUPAC NameN-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1nnc(CCS(=O)(=O)c2ccccc2)o1)c1ccc2ncsc2c1
InChIInChI=1S/C18H14N4O4S2/c23-17(12-6-7-14-15(10-12)27-11-19-14)20-18-22-21-16(26-18)8-9-28(24,25)13-4-2-1-3-5-13/h1-7,10-11H,8-9H2,(H,20,22,23)
InChIKeyYDHTTYLBGABZKN-UHFFFAOYSA-N
XLogP2.95
TPSA115.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-benzyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 16917410
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylbenzamide
CID 44921964
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
CID 44921919
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfanylbenzamide
CID 44921962
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 43973672
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-2,5-dichlorobenzamide
CID 44921886
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-5-chlorothiophene-2-carboxamide
CID 44921880
N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-bromobenzamide
CID 44921722
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 16849494
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 44921990
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 7533286
N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 43972313

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide (CID 44921935) is N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide is O=C(Nc1nnc(CCS(=O)(=O)c2ccccc2)o1)c1ccc2ncsc2c1.
What is the InChIKey of N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is YDHTTYLBGABZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4S2/c23-17(12-6-7-14-15(10-12)27-11-19-14)20-18-22-21-16(26-18)8-9-28(24,25)13-4-2-1-3-5-13/h1-7,10-11H,8-9H2,(H,20,22,23).
What are the key properties of N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 44921935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).