N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]butanamide

C17H15ClN2OS — CID 918649

IUPACN-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2s1
InChIInChI=1S/C17H15ClN2OS/c1-2-5-16(21)19-13-9-8-11(18)10-12(13)17-20-14-6-3-4-7-15(14)22-17/h3-4,6-10H,2,5H2,1H3,(H,19,21)
InChIKeyFZAAXOMUCZIDKZ-UHFFFAOYSA-N
MW330.84 g/mol
LogP5.36
Rot. Bonds4

About N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]butanamide

N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]butanamide (PubChem CID 918649) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]butanamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]butanamide
PubChem CID918649
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2s1
InChIInChI=1S/C17H15ClN2OS/c1-2-5-16(21)19-13-9-8-11(18)10-12(13)17-20-14-6-3-4-7-15(14)22-17/h3-4,6-10H,2,5H2,1H3,(H,19,21)
InChIKeyFZAAXOMUCZIDKZ-UHFFFAOYSA-N
XLogP5.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.84
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]butanamide
CID 739213
N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]butanamide
CID 739215
N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-3,5-dimethoxybenzamide
CID 22778187
(E)-N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-3-(4-chlorophenyl)prop-2-enamide
CID 22778274
N-[2-(1,3-benzothiazol-2-yl)-4-ethylphenyl]acetamide
CID 132574675
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-chlorophenoxy)acetamide
CID 42999622
N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-chlorobenzamide
CID 4283027
2-amino-5-[2-(1,3-benzothiazol-2-yl)anilino]-5-oxopentanoic acid
CID 131973516
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]pentanamide
CID 135591872
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide
CID 55757331
N-[3-(1,3-benzothiazol-2-yl)-5-chloro-2-hydroxyphenyl]-3,5,5-trimethylhexanamide
CID 142673911
N-[[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-3-methoxybenzamide
CID 22782986

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]butanamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]butanamide (CID 918649) is N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]butanamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]butanamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]butanamide is CCCC(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2s1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]butanamide?
The InChIKey is FZAAXOMUCZIDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS/c1-2-5-16(21)19-13-9-8-11(18)10-12(13)17-20-14-6-3-4-7-15(14)22-17/h3-4,6-10H,2,5H2,1H3,(H,19,21).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]butanamide?
N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]butanamide has a molecular weight of 330.84 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]butanamide is sourced from PubChem (CID 918649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).