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

C18H14N4O2S2 — CID 44921587

IUPACN-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1nnc(CCSc2ccccc2)o1)c1nc2ccccc2s1
InChIInChI=1S/C18H14N4O2S2/c23-16(17-19-13-8-4-5-9-14(13)26-17)20-18-22-21-15(24-18)10-11-25-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,22,23)
InChIKeyKENUXCHTNHYJEM-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.27
Rot. Bonds6

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

N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide (PubChem CID 44921587) has the molecular formula C18H14N4O2S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
PubChem CID44921587
Molecular FormulaC18H14N4O2S2
Molecular Weight382.47 g/mol
Exact Mass382.06
IUPAC NameN-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1nnc(CCSc2ccccc2)o1)c1nc2ccccc2s1
InChIInChI=1S/C18H14N4O2S2/c23-16(17-19-13-8-4-5-9-14(13)26-17)20-18-22-21-15(24-18)10-11-25-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,22,23)
InChIKeyKENUXCHTNHYJEM-UHFFFAOYSA-N
XLogP4.27
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-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-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 52904179
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 16917858
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 16854327
7-methoxy-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 40946613
(E)-3-phenyl-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 44921575
N-phenyl-1,3-benzothiazole-2-carboxamide
CID 900706
2-(4-methoxyphenyl)-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 44921707
2,3-dimethoxy-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 44921656
4-(benzenesulfonyl)-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 44921689
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 43976965
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 16838897

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide (CID 44921587) is N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide is O=C(Nc1nnc(CCSc2ccccc2)o1)c1nc2ccccc2s1.
What is the InChIKey of N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is KENUXCHTNHYJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S2/c23-16(17-19-13-8-4-5-9-14(13)26-17)20-18-22-21-15(24-18)10-11-25-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,22,23).
What are the key properties of N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide?
N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 44921587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).