N-(6-methyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide

C14H12N2OS2 — CID 836334

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESCc1ccc2nc(NC(=O)Cc3cccs3)sc2c1
InChIInChI=1S/C14H12N2OS2/c1-9-4-5-11-12(7-9)19-14(15-11)16-13(17)8-10-3-2-6-18-10/h2-7H,8H2,1H3,(H,15,16,17)
InChIKeyGJMUQZIBSBWISZ-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.85
Rot. Bonds3

About N-(6-methyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide

N-(6-methyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 836334) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
PubChem CID836334
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESCc1ccc2nc(NC(=O)Cc3cccs3)sc2c1
InChIInChI=1S/C14H12N2OS2/c1-9-4-5-11-12(7-9)19-14(15-11)16-13(17)8-10-3-2-6-18-10/h2-7H,8H2,1H3,(H,15,16,17)
InChIKeyGJMUQZIBSBWISZ-UHFFFAOYSA-N
XLogP3.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.85
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

LH-846
CID 851474
Benzamide, 4-amino-N-(benzothiazol-2-yl)-
CID 37560
N-2-Benzothiazolylbenzeneacetamide
CID 591403
N-Benzothiazol-2-yl-benzamide
CID 689669
Benzamide, N-2-benzothiazolyl-4-fluoro-
CID 749175
N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 953485
S-(2-(2-Benzothiazolylamino)-2-oxoethyl) ethanethioate
CID 112568
2-((3-(4-fluorophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(6-methylbenzo[d]thiazol-2-yl)acetamide
CID 2155389
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide
CID 8892653
Casein kinase 1|A-IN-6
CID 77106258
N-(6-methylbenzo[d]thiazol-2-yl)thiophene-2-carboxamide
CID 739615
Iwp-2
CID 2155128

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide (CID 836334) is N-(6-methyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide is Cc1ccc2nc(NC(=O)Cc3cccs3)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
The InChIKey is GJMUQZIBSBWISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS2/c1-9-4-5-11-12(7-9)19-14(15-11)16-13(17)8-10-3-2-6-18-10/h2-7H,8H2,1H3,(H,15,16,17).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
N-(6-methyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 288.40 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 836334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).