5-(1,3-benzothiazol-2-yl)-N-(2,5-dimethylphenyl)pentanamide

C20H22N2OS — CID 40710369

IUPAC5-(1,3-benzothiazol-2-yl)-N-(2,5-dimethylphenyl)pentanamide
SMILESCc1ccc(C)c(NC(=O)CCCCc2nc3ccccc3s2)c1
InChIInChI=1S/C20H22N2OS/c1-14-11-12-15(2)17(13-14)21-19(23)9-5-6-10-20-22-16-7-3-4-8-18(16)24-20/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H,21,23)
InChIKeyBUQPIRYWUJYXMO-UHFFFAOYSA-N
MW338.48 g/mol
LogP5.26
Rot. Bonds6

About 5-(1,3-benzothiazol-2-yl)-N-(2,5-dimethylphenyl)pentanamide

5-(1,3-benzothiazol-2-yl)-N-(2,5-dimethylphenyl)pentanamide (PubChem CID 40710369) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-(2,5-dimethylphenyl)pentanamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-(2,5-dimethylphenyl)pentanamide
PubChem CID40710369
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-(2,5-dimethylphenyl)pentanamide
SMILESCc1ccc(C)c(NC(=O)CCCCc2nc3ccccc3s2)c1
InChIInChI=1S/C20H22N2OS/c1-14-11-12-15(2)17(13-14)21-19(23)9-5-6-10-20-22-16-7-3-4-8-18(16)24-20/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H,21,23)
InChIKeyBUQPIRYWUJYXMO-UHFFFAOYSA-N
XLogP5.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.48
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)pentanamide
CID 9039379
methyl 3-[5-(1,3-benzothiazol-2-yl)pentanoylamino]-4-methylbenzoate
CID 9378208
3-(1,3-benzothiazol-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide
CID 17493962
4-(1,3-benzothiazol-2-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]butanamide
CID 8896882
2-[4-[5-(1,3-benzothiazol-2-yl)pentanoylamino]-3-methylphenoxy]acetic acid
CID 119231471
4-(1,3-benzothiazol-2-yl)-N-naphthalen-1-ylbutanamide
CID 26087329
5-(1,3-benzothiazol-2-yl)-N-(3,5-difluorophenyl)pentanamide
CID 24530018
5-(1,3-benzothiazol-2-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)pentanamide
CID 55383684
3-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 24535645
4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylphenyl)butanamide
CID 26290774
methyl 3-[[2-[4-(1,3-benzothiazol-2-yl)butanoyloxy]acetyl]amino]-4-methylbenzoate
CID 55320459
3-(1,3-benzothiazol-2-yl)-N-(2,3-dimethylphenyl)propanamide
CID 7964922

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(2,5-dimethylphenyl)pentanamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(2,5-dimethylphenyl)pentanamide (CID 40710369) is 5-(1,3-benzothiazol-2-yl)-N-(2,5-dimethylphenyl)pentanamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-(2,5-dimethylphenyl)pentanamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-(2,5-dimethylphenyl)pentanamide is Cc1ccc(C)c(NC(=O)CCCCc2nc3ccccc3s2)c1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-(2,5-dimethylphenyl)pentanamide?
The InChIKey is BUQPIRYWUJYXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-14-11-12-15(2)17(13-14)21-19(23)9-5-6-10-20-22-16-7-3-4-8-18(16)24-20/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H,21,23).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-(2,5-dimethylphenyl)pentanamide?
5-(1,3-benzothiazol-2-yl)-N-(2,5-dimethylphenyl)pentanamide has a molecular weight of 338.48 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-(2,5-dimethylphenyl)pentanamide is sourced from PubChem (CID 40710369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).