N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]butanamide

C17H15ClN2OS — CID 739213

IUPACN-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]butanamide
SMILESCCCC(=O)Nc1cc(-c2nc3ccccc3s2)ccc1Cl
InChIInChI=1S/C17H15ClN2OS/c1-2-5-16(21)19-14-10-11(8-9-12(14)18)17-20-13-6-3-4-7-15(13)22-17/h3-4,6-10H,2,5H2,1H3,(H,19,21)
InChIKeyHKVOJOQUVHFWQP-UHFFFAOYSA-N
MW330.84 g/mol
LogP5.36
Rot. Bonds4

About N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]butanamide

N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]butanamide (PubChem CID 739213) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]butanamide.

Molecular Properties

Compound NameN-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]butanamide
PubChem CID739213
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC NameN-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]butanamide
SMILESCCCC(=O)Nc1cc(-c2nc3ccccc3s2)ccc1Cl
InChIInChI=1S/C17H15ClN2OS/c1-2-5-16(21)19-14-10-11(8-9-12(14)18)17-20-13-6-3-4-7-15(13)22-17/h3-4,6-10H,2,5H2,1H3,(H,19,21)
InChIKeyHKVOJOQUVHFWQP-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]-2-chloroacetamide
CID 91683689
N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]butanamide
CID 918649
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-bromobenzamide
CID 2283555
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3,6-dichloro-1-benzothiophene-2-carboxamide
CID 3888323
N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]-3,5-dimethylbenzamide
CID 22782740
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3,4-dimethoxybenzamide
CID 1048170
N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]butanamide
CID 739215
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-(4-tert-butylphenoxy)-2-methylpropanamide
CID 17274238
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chlorobenzamide
CID 46785977
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-chlorobenzamide
CID 3120632
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chloro-5-iodobenzamide
CID 17116673
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(4-methoxyphenoxy)acetamide
CID 1348850

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]butanamide?
The IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]butanamide (CID 739213) is N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]butanamide.
What is the SMILES notation for N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]butanamide?
The canonical SMILES for N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]butanamide is CCCC(=O)Nc1cc(-c2nc3ccccc3s2)ccc1Cl.
What is the InChIKey of N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]butanamide?
The InChIKey is HKVOJOQUVHFWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS/c1-2-5-16(21)19-14-10-11(8-9-12(14)18)17-20-13-6-3-4-7-15(13)22-17/h3-4,6-10H,2,5H2,1H3,(H,19,21).
What are the key properties of N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]butanamide?
N-[5-(1,3-benzothiazol-2-yl)-2-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-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]butanamide is sourced from PubChem (CID 739213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).