4-(1,3-benzothiazol-2-yl)-N-naphthalen-1-ylbutanamide

C21H18N2OS — CID 26087329

IUPAC4-(1,3-benzothiazol-2-yl)-N-naphthalen-1-ylbutanamide
SMILESO=C(CCCc1nc2ccccc2s1)Nc1cccc2ccccc12
InChIInChI=1S/C21H18N2OS/c24-20(22-17-11-5-8-15-7-1-2-9-16(15)17)13-6-14-21-23-18-10-3-4-12-19(18)25-21/h1-5,7-12H,6,13-14H2,(H,22,24)
InChIKeyXYENDFGXCZVMAG-UHFFFAOYSA-N
MW346.46 g/mol
LogP5.41
Rot. Bonds5

About 4-(1,3-benzothiazol-2-yl)-N-naphthalen-1-ylbutanamide

4-(1,3-benzothiazol-2-yl)-N-naphthalen-1-ylbutanamide (PubChem CID 26087329) has the molecular formula C21H18N2OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-naphthalen-1-ylbutanamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-naphthalen-1-ylbutanamide
PubChem CID26087329
Molecular FormulaC21H18N2OS
Molecular Weight346.46 g/mol
Exact Mass346.11
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-naphthalen-1-ylbutanamide
SMILESO=C(CCCc1nc2ccccc2s1)Nc1cccc2ccccc12
InChIInChI=1S/C21H18N2OS/c24-20(22-17-11-5-8-15-7-1-2-9-16(15)17)13-6-14-21-23-18-10-3-4-12-19(18)25-21/h1-5,7-12H,6,13-14H2,(H,22,24)
InChIKeyXYENDFGXCZVMAG-UHFFFAOYSA-N
XLogP5.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.46
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylphenyl)butanamide
CID 26290774
5-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)pentanamide
CID 9039379
4-(1,3-benzothiazol-2-yl)-N-benzylbutanamide
CID 2598266
4-(1,3-benzothiazol-2-yl)-N-[2-(difluoromethylsulfonyl)phenyl]butanamide
CID 55340208
2-[4-(1,3-benzothiazol-2-yl)butanoylamino]-N-prop-2-enylbenzamide
CID 34743638
3-(1,3-benzothiazol-2-yl)-N-(2,3-dimethylphenyl)propanamide
CID 7964922
4-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide
CID 55920587
4-(1,3-benzothiazol-2-yl)-N-[[3-(butanoylamino)phenyl]methyl]butanamide
CID 55782553
4-(1,3-benzothiazol-2-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
CID 51151121
4-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylbutanamide
CID 51162107
5-(1,3-benzothiazol-2-yl)-N-(2,5-dimethylphenyl)pentanamide
CID 40710369
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-(1,3-benzothiazol-2-yl)pentanamide
CID 78810380

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-naphthalen-1-ylbutanamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-naphthalen-1-ylbutanamide (CID 26087329) is 4-(1,3-benzothiazol-2-yl)-N-naphthalen-1-ylbutanamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-naphthalen-1-ylbutanamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-naphthalen-1-ylbutanamide is O=C(CCCc1nc2ccccc2s1)Nc1cccc2ccccc12.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-naphthalen-1-ylbutanamide?
The InChIKey is XYENDFGXCZVMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS/c24-20(22-17-11-5-8-15-7-1-2-9-16(15)17)13-6-14-21-23-18-10-3-4-12-19(18)25-21/h1-5,7-12H,6,13-14H2,(H,22,24).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-naphthalen-1-ylbutanamide?
4-(1,3-benzothiazol-2-yl)-N-naphthalen-1-ylbutanamide has a molecular weight of 346.46 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-naphthalen-1-ylbutanamide is sourced from PubChem (CID 26087329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).