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

C19H14N2OS2 — CID 9117027

IUPACN-[2-(1,3-benzothiazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C19H14N2OS2/c22-18(12-13-6-5-11-23-13)20-15-8-2-1-7-14(15)19-21-16-9-3-4-10-17(16)24-19/h1-11H,12H2,(H,20,22)
InChIKeyPPNGBQHJBDOSSO-UHFFFAOYSA-N
MW350.47 g/mol
LogP5.21
Rot. Bonds4

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

N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 9117027) has the molecular formula C19H14N2OS2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
PubChem CID9117027
Molecular FormulaC19H14N2OS2
Molecular Weight350.47 g/mol
Exact Mass350.05
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C19H14N2OS2/c22-18(12-13-6-5-11-23-13)20-15-8-2-1-7-14(15)19-21-16-9-3-4-10-17(16)24-19/h1-11H,12H2,(H,20,22)
InChIKeyPPNGBQHJBDOSSO-UHFFFAOYSA-N
XLogP5.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-thiophen-2-ylacetamide
CID 41340366
N-[3-[2-(1,3-benzothiazol-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 55368191
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16563450
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(furan-2-yl)propanamide
CID 9361546
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide
CID 55757331
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 16563446
N-[4-[2-[3-(1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 38749982
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 9206111
N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]propanamide
CID 953197
2-amino-5-[2-(1,3-benzothiazol-2-yl)anilino]-5-oxopentanoic acid
CID 131973516
N-(2-hydroxyphenyl)-2-thiophen-2-ylacetamide
CID 837925
N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2-(5-chlorothiophen-2-yl)acetamide
CID 41341043

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-thiophen-2-ylacetamide (CID 9117027) is N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccccc1-c1nc2ccccc2s1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is PPNGBQHJBDOSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS2/c22-18(12-13-6-5-11-23-13)20-15-8-2-1-7-14(15)19-21-16-9-3-4-10-17(16)24-19/h1-11H,12H2,(H,20,22).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 350.47 g/mol, XLogP of 5.21, 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)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 9117027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).