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

C14H12N2OS2 — CID 2550244

IUPACN-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-3-ylacetamide
SMILESCc1nc2ccc(NC(=O)Cc3ccsc3)cc2s1
InChIInChI=1S/C14H12N2OS2/c1-9-15-12-3-2-11(7-13(12)19-9)16-14(17)6-10-4-5-18-8-10/h2-5,7-8H,6H2,1H3,(H,16,17)
InChIKeyBZPZOSJVDQKSOT-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.85
Rot. Bonds3

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

N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-3-ylacetamide (PubChem CID 2550244) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-3-ylacetamide
PubChem CID2550244
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC NameN-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-3-ylacetamide
SMILESCc1nc2ccc(NC(=O)Cc3ccsc3)cc2s1
InChIInChI=1S/C14H12N2OS2/c1-9-15-12-3-2-11(7-13(12)19-9)16-14(17)6-10-4-5-18-8-10/h2-5,7-8H,6H2,1H3,(H,16,17)
InChIKeyBZPZOSJVDQKSOT-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

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Related Compounds

2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31529238
2-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 2102300
N-(3-hydroxy-4-methylphenyl)-2-thiophen-3-ylacetamide
CID 64792905
N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9085549
4-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
CID 79193199
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 2101612
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 55649827
4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride
CID 119264601
3-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 110443255
N-(4-bromo-3-methylphenyl)-2-thiophen-3-ylacetamide
CID 2486757
2-(cyclopentylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60848317

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-3-ylacetamide (CID 2550244) is N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-3-ylacetamide is Cc1nc2ccc(NC(=O)Cc3ccsc3)cc2s1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-3-ylacetamide?
The InChIKey is BZPZOSJVDQKSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS2/c1-9-15-12-3-2-11(7-13(12)19-9)16-14(17)6-10-4-5-18-8-10/h2-5,7-8H,6H2,1H3,(H,16,17).
What are the key properties of N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-3-ylacetamide?
N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-3-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-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 2550244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).