4-acetamido-N-[4-(5,6-difluoro-1,3-benzothiazol-2-yl)phenyl]butanamide

C19H17F2N3O2S — CID 171835735

IUPAC4-acetamido-N-[4-(5,6-difluoro-1,3-benzothiazol-2-yl)phenyl]butanamide
SMILESCC(=O)NCCCC(=O)Nc1ccc(-c2nc3cc(F)c(F)cc3s2)cc1
InChIInChI=1S/C19H17F2N3O2S/c1-11(25)22-8-2-3-18(26)23-13-6-4-12(5-7-13)19-24-16-9-14(20)15(21)10-17(16)27-19/h4-7,9-10H,2-3,8H2,1H3,(H,22,25)(H,23,26)
InChIKeyMHLGJDMOEGLUMA-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.10
Rot. Bonds6

About 4-acetamido-N-[4-(5,6-difluoro-1,3-benzothiazol-2-yl)phenyl]butanamide

4-acetamido-N-[4-(5,6-difluoro-1,3-benzothiazol-2-yl)phenyl]butanamide (PubChem CID 171835735) has the molecular formula C19H17F2N3O2S and a molecular weight of 389.43 g/mol. Its IUPAC name is 4-acetamido-N-[4-(5,6-difluoro-1,3-benzothiazol-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-acetamido-N-[4-(5,6-difluoro-1,3-benzothiazol-2-yl)phenyl]butanamide
PubChem CID171835735
Molecular FormulaC19H17F2N3O2S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name4-acetamido-N-[4-(5,6-difluoro-1,3-benzothiazol-2-yl)phenyl]butanamide
SMILESCC(=O)NCCCC(=O)Nc1ccc(-c2nc3cc(F)c(F)cc3s2)cc1
InChIInChI=1S/C19H17F2N3O2S/c1-11(25)22-8-2-3-18(26)23-13-6-4-12(5-7-13)19-24-16-9-14(20)15(21)10-17(16)27-19/h4-7,9-10H,2-3,8H2,1H3,(H,22,25)(H,23,26)
InChIKeyMHLGJDMOEGLUMA-UHFFFAOYSA-N
XLogP4.10
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-acetamido-N-[4-(5,6-difluoro-1,3-benzothiazol-2-yl)phenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-acetamido-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide
CID 35626405
4-acetamido-N-[4-(5-phenyl-1,3-thiazol-2-yl)phenyl]butanamide
CID 171835852
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-[(1-hydroxy-2-methylpropyl)amino]butanamide
CID 174362978
N-[4-(1,3-benzothiazol-2-yl)phenyl]-5-bromopentanamide
CID 68701204
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide
CID 2216354
2-iodo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 5155423
4-(4-methoxyphenyl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide
CID 41273714
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-methylsulfonylpropanamide
CID 110620089
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 46845966
2-(2,5-dimethylphenyl)sulfanyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 4553833
4-(butanoylamino)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 2952764
2-[4-(6-acetamidohexanoylamino)-2-fluorophenyl]acetic acid
CID 122110097

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[4-(5,6-difluoro-1,3-benzothiazol-2-yl)phenyl]butanamide?
The IUPAC name of 4-acetamido-N-[4-(5,6-difluoro-1,3-benzothiazol-2-yl)phenyl]butanamide (CID 171835735) is 4-acetamido-N-[4-(5,6-difluoro-1,3-benzothiazol-2-yl)phenyl]butanamide.
What is the SMILES notation for 4-acetamido-N-[4-(5,6-difluoro-1,3-benzothiazol-2-yl)phenyl]butanamide?
The canonical SMILES for 4-acetamido-N-[4-(5,6-difluoro-1,3-benzothiazol-2-yl)phenyl]butanamide is CC(=O)NCCCC(=O)Nc1ccc(-c2nc3cc(F)c(F)cc3s2)cc1.
What is the InChIKey of 4-acetamido-N-[4-(5,6-difluoro-1,3-benzothiazol-2-yl)phenyl]butanamide?
The InChIKey is MHLGJDMOEGLUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2S/c1-11(25)22-8-2-3-18(26)23-13-6-4-12(5-7-13)19-24-16-9-14(20)15(21)10-17(16)27-19/h4-7,9-10H,2-3,8H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 4-acetamido-N-[4-(5,6-difluoro-1,3-benzothiazol-2-yl)phenyl]butanamide?
4-acetamido-N-[4-(5,6-difluoro-1,3-benzothiazol-2-yl)phenyl]butanamide has a molecular weight of 389.43 g/mol, XLogP of 4.10, 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-(5,6-difluoro-1,3-benzothiazol-2-yl)phenyl]butanamide is sourced from PubChem (CID 171835735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).