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

C19H20N2OS — CID 9039379

IUPAC5-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)pentanamide
SMILESCc1ccccc1NC(=O)CCCCc1nc2ccccc2s1
InChIInChI=1S/C19H20N2OS/c1-14-8-2-3-9-15(14)20-18(22)12-6-7-13-19-21-16-10-4-5-11-17(16)23-19/h2-5,8-11H,6-7,12-13H2,1H3,(H,20,22)
InChIKeyAOMSGUJRKBLZJB-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.96
Rot. Bonds6

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

5-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)pentanamide (PubChem CID 9039379) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)pentanamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)pentanamide
PubChem CID9039379
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)pentanamide
SMILESCc1ccccc1NC(=O)CCCCc1nc2ccccc2s1
InChIInChI=1S/C19H20N2OS/c1-14-8-2-3-9-15(14)20-18(22)12-6-7-13-19-21-16-10-4-5-11-17(16)23-19/h2-5,8-11H,6-7,12-13H2,1H3,(H,20,22)
InChIKeyAOMSGUJRKBLZJB-UHFFFAOYSA-N
XLogP4.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.96
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-(2,5-dimethylphenyl)pentanamide
CID 40710369
methyl 3-[5-(1,3-benzothiazol-2-yl)pentanoylamino]-4-methylbenzoate
CID 9378208
3-(1,3-benzothiazol-2-yl)-N-(2,3-dimethylphenyl)propanamide
CID 7964922
4-(1,3-benzothiazol-2-yl)-N-naphthalen-1-ylbutanamide
CID 26087329
2-[4-[5-(1,3-benzothiazol-2-yl)pentanoylamino]-3-methylphenoxy]acetic acid
CID 119231471
4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylphenyl)butanamide
CID 26290774
N-(2-amino-2-methylpropyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 119625961
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-(1,3-benzothiazol-2-yl)pentanamide
CID 78810380
4-(1,3-benzothiazol-2-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]butanamide
CID 8896882
5-(1,3-benzothiazol-2-yl)-N-(3,5-difluorophenyl)pentanamide
CID 24530018
N-(2-anilino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 55958284
4-(1,3-benzothiazol-2-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
CID 51151121

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)pentanamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)pentanamide (CID 9039379) is 5-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)pentanamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)pentanamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)pentanamide is Cc1ccccc1NC(=O)CCCCc1nc2ccccc2s1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)pentanamide?
The InChIKey is AOMSGUJRKBLZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-14-8-2-3-9-15(14)20-18(22)12-6-7-13-19-21-16-10-4-5-11-17(16)23-19/h2-5,8-11H,6-7,12-13H2,1H3,(H,20,22).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)pentanamide?
5-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)pentanamide has a molecular weight of 324.45 g/mol, XLogP of 4.96, 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-methylphenyl)pentanamide is sourced from PubChem (CID 9039379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).