N-(1,3-benzothiazol-2-yl)-2-(4-methylphenyl)acetamide

C16H14N2OS — CID 889037

IUPACN-(1,3-benzothiazol-2-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C16H14N2OS/c1-11-6-8-12(9-7-11)10-15(19)18-16-17-13-4-2-3-5-14(13)20-16/h2-9H,10H2,1H3,(H,17,18,19)
InChIKeyNFWSXQWSKKNVNL-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.79
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-2-(4-methylphenyl)acetamide

N-(1,3-benzothiazol-2-yl)-2-(4-methylphenyl)acetamide (PubChem CID 889037) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(4-methylphenyl)acetamide
PubChem CID889037
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C16H14N2OS/c1-11-6-8-12(9-7-11)10-15(19)18-16-17-13-4-2-3-5-14(13)20-16/h2-9H,10H2,1H3,(H,17,18,19)
InChIKeyNFWSXQWSKKNVNL-UHFFFAOYSA-N
XLogP3.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

LH-846
CID 851474
Benzamide, N-2-benzothiazolyl-4-nitro-
CID 215271
Benzamide, 4-amino-N-(benzothiazol-2-yl)-
CID 37560
N-2-Benzothiazolylbenzeneacetamide
CID 591403
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
2-(Acetoacetamido)benzothiazole
CID 20820
3(2H)-Pyridazinone, 4,5-dihydro-2-(2-benzothiazolyl)-6-phenyl-
CID 364042
N-(1,3-Benzothiazol-2-YL)-4-tert-butylbenzamide
CID 722343
Cyclohexanecarboxamide, N-(6-nitro-2-benzothiazolyl)-
CID 739510
N-(1,3-Benzothiazol-2-YL)-2-chlorobenzamide
CID 587340

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-methylphenyl)acetamide (CID 889037) is N-(1,3-benzothiazol-2-yl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2nc3ccccc3s2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(4-methylphenyl)acetamide?
The InChIKey is NFWSXQWSKKNVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-11-6-8-12(9-7-11)10-15(19)18-16-17-13-4-2-3-5-14(13)20-16/h2-9H,10H2,1H3,(H,17,18,19).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(4-methylphenyl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(4-methylphenyl)acetamide has a molecular weight of 282.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 889037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).