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

C13H10N2OS2 — CID 718180

IUPACN-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1nc2ccccc2s1
InChIInChI=1S/C13H10N2OS2/c16-12(8-9-4-3-7-17-9)15-13-14-10-5-1-2-6-11(10)18-13/h1-7H,8H2,(H,14,15,16)
InChIKeyQNJUFBLXCPQTHI-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.54
Rot. Bonds3

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

N-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 718180) has the molecular formula C13H10N2OS2 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
PubChem CID718180
Molecular FormulaC13H10N2OS2
Molecular Weight274.37 g/mol
Exact Mass274.02
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1nc2ccccc2s1
InChIInChI=1S/C13H10N2OS2/c16-12(8-9-4-3-7-17-9)15-13-14-10-5-1-2-6-11(10)18-13/h1-7H,8H2,(H,14,15,16)
InChIKeyQNJUFBLXCPQTHI-UHFFFAOYSA-N
XLogP3.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_E(2)', 'substructure': 'N/A'}

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Related Compounds

Benzthiazuron
CID 16007
S-2-Benzothiazolyl-2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate, (Z)-
CID 5702580
Benzamide, 4-amino-N-(benzothiazol-2-yl)-
CID 37560
Anilinobenzothiazole
CID 230981
Bentaluron
CID 4408229
N-(2-amino-1,3-benzothiazol-6-yl)acetamide
CID 231904
N-2-Benzothiazolylbenzeneacetamide
CID 591403
N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 670282
N-Benzothiazol-2-yl-benzamide
CID 689669
1-(1,3-Benzothiazol-2-yl)-3-phenylurea
CID 726342
Benzamide, N-2-benzothiazolyl-4-fluoro-
CID 749175
N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 953485

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide (CID 718180) is N-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
The InChIKey is QNJUFBLXCPQTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS2/c16-12(8-9-4-3-7-17-9)15-13-14-10-5-1-2-6-11(10)18-13/h1-7H,8H2,(H,14,15,16).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
N-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 274.37 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 718180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).