4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylphenyl)butanamide

C20H22N2OS — CID 26290774

IUPAC4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylphenyl)butanamide
SMILESCC(C)c1ccccc1NC(=O)CCCc1nc2ccccc2s1
InChIInChI=1S/C20H22N2OS/c1-14(2)15-8-3-4-9-16(15)21-19(23)12-7-13-20-22-17-10-5-6-11-18(17)24-20/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,21,23)
InChIKeyANLNQCGWPDGPKW-UHFFFAOYSA-N
MW338.48 g/mol
LogP5.38
Rot. Bonds6

About 4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylphenyl)butanamide

4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylphenyl)butanamide (PubChem CID 26290774) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylphenyl)butanamide
PubChem CID26290774
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylphenyl)butanamide
SMILESCC(C)c1ccccc1NC(=O)CCCc1nc2ccccc2s1
InChIInChI=1S/C20H22N2OS/c1-14(2)15-8-3-4-9-16(15)21-19(23)12-7-13-20-22-17-10-5-6-11-18(17)24-20/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,21,23)
InChIKeyANLNQCGWPDGPKW-UHFFFAOYSA-N
XLogP5.38
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 ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-benzothiazol-2-yl)-N-naphthalen-1-ylbutanamide
CID 26087329
5-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)pentanamide
CID 9039379
1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
CID 8801735
4-(1,3-benzothiazol-2-yl)-N-[2-(difluoromethylsulfonyl)phenyl]butanamide
CID 55340208
4-(1,3-benzothiazol-2-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
CID 51151121
5-(1,3-benzothiazol-2-yl)-N-(2,5-dimethylphenyl)pentanamide
CID 40710369
2-[4-(1,3-benzothiazol-2-yl)butanoylamino]-N-prop-2-enylbenzamide
CID 34743638
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-(1,3-benzothiazol-2-yl)pentanamide
CID 78810380
5-(1,3-benzothiazol-2-yl)-N-(2-hydroxypropyl)pentanamide
CID 78822892
3-(1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 24641041
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

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylphenyl)butanamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylphenyl)butanamide (CID 26290774) is 4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylphenyl)butanamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylphenyl)butanamide is CC(C)c1ccccc1NC(=O)CCCc1nc2ccccc2s1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylphenyl)butanamide?
The InChIKey is ANLNQCGWPDGPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-14(2)15-8-3-4-9-16(15)21-19(23)12-7-13-20-22-17-10-5-6-11-18(17)24-20/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,21,23).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylphenyl)butanamide?
4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylphenyl)butanamide has a molecular weight of 338.48 g/mol, XLogP of 5.38, 6 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-(2-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 26290774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).