N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-thiophen-2-ylacetamide

C17H12N2OS3 — CID 41340366

IUPACN-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1sccc1-c1nc2ccccc2s1
InChIInChI=1S/C17H12N2OS3/c20-15(10-11-4-3-8-21-11)19-16-12(7-9-22-16)17-18-13-5-1-2-6-14(13)23-17/h1-9H,10H2,(H,19,20)
InChIKeyVLKOWRNJUWYOED-UHFFFAOYSA-N
MW356.50 g/mol
LogP5.27
Rot. Bonds4

About N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-thiophen-2-ylacetamide

N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 41340366) has the molecular formula C17H12N2OS3 and a molecular weight of 356.50 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-thiophen-2-ylacetamide
PubChem CID41340366
Molecular FormulaC17H12N2OS3
Molecular Weight356.50 g/mol
Exact Mass356.01
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1sccc1-c1nc2ccccc2s1
InChIInChI=1S/C17H12N2OS3/c20-15(10-11-4-3-8-21-11)19-16-12(7-9-22-16)17-18-13-5-1-2-6-14(13)23-17/h1-9H,10H2,(H,19,20)
InChIKeyVLKOWRNJUWYOED-UHFFFAOYSA-N
XLogP5.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.50
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
CID 9117027
N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-(5-chlorothiophen-2-yl)acetamide
CID 41341043
N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2,6-difluorobenzamide
CID 44949763
N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 44949831
N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-3-chloro-1-benzothiophene-2-carboxamide
CID 44949720
N-[4-[2-[3-(1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 38749982
(2R)-N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-phenoxypropanamide
CID 51696287
[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 2381090
N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 16952292
N-(1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide
CID 8571563
N-[3-[2-(1,3-benzothiazol-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 55368191
ethyl 4-[4-[[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 44949735

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-thiophen-2-ylacetamide (CID 41340366) is N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1sccc1-c1nc2ccccc2s1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is VLKOWRNJUWYOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS3/c20-15(10-11-4-3-8-21-11)19-16-12(7-9-22-16)17-18-13-5-1-2-6-14(13)23-17/h1-9H,10H2,(H,19,20).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-thiophen-2-ylacetamide?
N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 356.50 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 41340366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).