4-acetamido-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide

C20H21N3O2S — CID 35626405

IUPAC4-acetamido-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide
SMILESCC(=O)NCCCC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1
InChIInChI=1S/C20H21N3O2S/c1-13-5-10-17-18(12-13)26-20(23-17)15-6-8-16(9-7-15)22-19(25)4-3-11-21-14(2)24/h5-10,12H,3-4,11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyJFIHZZBUYSTBPZ-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.13
Rot. Bonds6

About 4-acetamido-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide

4-acetamido-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide (PubChem CID 35626405) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-acetamido-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-acetamido-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide
PubChem CID35626405
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name4-acetamido-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide
SMILESCC(=O)NCCCC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1
InChIInChI=1S/C20H21N3O2S/c1-13-5-10-17-18(12-13)26-20(23-17)15-6-8-16(9-7-15)22-19(25)4-3-11-21-14(2)24/h5-10,12H,3-4,11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyJFIHZZBUYSTBPZ-UHFFFAOYSA-N
XLogP4.13
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-acetamido-N-[4-(5,6-difluoro-1,3-benzothiazol-2-yl)phenyl]butanamide
CID 171835735
2-iodo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 5155423
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-methylsulfonylpropanamide
CID 110620089
4-(4-methoxyphenyl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide
CID 41273714
1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-methylphenyl)urea
CID 19165577
4-(butanoylamino)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 2952764
N-(5-hydroxypentyl)-N'-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxamide
CID 108525845
1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-[3-(4-methylphenoxy)propyl]urea
CID 108881442
[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 4-oxopentanoate
CID 8625558
2-ethoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 2162977
[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605024
2-(2,5-dimethylphenyl)sulfanyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 4553833

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide?
The IUPAC name of 4-acetamido-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide (CID 35626405) is 4-acetamido-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide.
What is the SMILES notation for 4-acetamido-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide?
The canonical SMILES for 4-acetamido-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide is CC(=O)NCCCC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1.
What is the InChIKey of 4-acetamido-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide?
The InChIKey is JFIHZZBUYSTBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-13-5-10-17-18(12-13)26-20(23-17)15-6-8-16(9-7-15)22-19(25)4-3-11-21-14(2)24/h5-10,12H,3-4,11H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 4-acetamido-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide?
4-acetamido-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide has a molecular weight of 367.47 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide is sourced from PubChem (CID 35626405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).