N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide

C18H14N2OS2 — CID 46823899

IUPACN-[2-(1,3-benzothiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCCc1nc2ccccc2s1)c1cc2ccccc2s1
InChIInChI=1S/C18H14N2OS2/c21-18(16-11-12-5-1-3-7-14(12)22-16)19-10-9-17-20-13-6-2-4-8-15(13)23-17/h1-8,11H,9-10H2,(H,19,21)
InChIKeyVUARITZLGLCAAE-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.48
Rot. Bonds4

About N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide

N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 46823899) has the molecular formula C18H14N2OS2 and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID46823899
Molecular FormulaC18H14N2OS2
Molecular Weight338.46 g/mol
Exact Mass338.05
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCCc1nc2ccccc2s1)c1cc2ccccc2s1
InChIInChI=1S/C18H14N2OS2/c21-18(16-11-12-5-1-3-7-14(12)22-16)19-10-9-17-20-13-6-2-4-8-15(13)23-17/h1-8,11H,9-10H2,(H,19,21)
InChIKeyVUARITZLGLCAAE-UHFFFAOYSA-N
XLogP4.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-benzothiophene-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

5-acetyl-N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 39996788
N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-tert-butylbenzamide
CID 46823819
N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 91408055
N-[2-(1,3-benzothiazol-2-yl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51313017
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-methylbenzamide
CID 51207900
N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide
CID 57243108
1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-naphthalen-2-ylurea
CID 78832241
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 51207889
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide
CID 114996265
(2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide
CID 119272632
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 18198533
N-(3-amino-3-sulfanylidenepropyl)-1-benzothiophene-2-carboxamide
CID 62668366

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide (CID 46823899) is N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide is O=C(NCCc1nc2ccccc2s1)c1cc2ccccc2s1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is VUARITZLGLCAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2OS2/c21-18(16-11-12-5-1-3-7-14(12)22-16)19-10-9-17-20-13-6-2-4-8-15(13)23-17/h1-8,11H,9-10H2,(H,19,21).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide?
N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 46823899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).