5-(1,3-benzothiazol-2-yl)-N-(3,5-difluorophenyl)pentanamide

C18H16F2N2OS — CID 24530018

IUPAC5-(1,3-benzothiazol-2-yl)-N-(3,5-difluorophenyl)pentanamide
SMILESO=C(CCCCc1nc2ccccc2s1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C18H16F2N2OS/c19-12-9-13(20)11-14(10-12)21-17(23)7-3-4-8-18-22-15-5-1-2-6-16(15)24-18/h1-2,5-6,9-11H,3-4,7-8H2,(H,21,23)
InChIKeyWKPWHCGJXYNJHC-UHFFFAOYSA-N
MW346.40 g/mol
LogP4.93
Rot. Bonds6

About 5-(1,3-benzothiazol-2-yl)-N-(3,5-difluorophenyl)pentanamide

5-(1,3-benzothiazol-2-yl)-N-(3,5-difluorophenyl)pentanamide (PubChem CID 24530018) has the molecular formula C18H16F2N2OS and a molecular weight of 346.40 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-(3,5-difluorophenyl)pentanamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-(3,5-difluorophenyl)pentanamide
PubChem CID24530018
Molecular FormulaC18H16F2N2OS
Molecular Weight346.40 g/mol
Exact Mass346.10
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-(3,5-difluorophenyl)pentanamide
SMILESO=C(CCCCc1nc2ccccc2s1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C18H16F2N2OS/c19-12-9-13(20)11-14(10-12)21-17(23)7-3-4-8-18-22-15-5-1-2-6-16(15)24-18/h1-2,5-6,9-11H,3-4,7-8H2,(H,21,23)
InChIKeyWKPWHCGJXYNJHC-UHFFFAOYSA-N
XLogP4.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[5-(1,3-benzothiazol-2-yl)pentanoylamino]phenyl]acetic acid
CID 119351780
N-(2-anilino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 55958284
5-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]pentanamide
CID 9270471
5-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)pentanamide
CID 9039379
N-[3-(2-anilino-2-oxoethoxy)phenyl]-5-(1,3-benzothiazol-2-yl)pentanamide
CID 55901194
N-(3-amino-4-methoxyphenyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 119418973
5-(1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-yl)pentanamide
CID 18192870
4-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylbutanamide
CID 51162107
5-(1,3-benzothiazol-2-yl)-N-(2,5-dimethylphenyl)pentanamide
CID 40710369
5-(1,3-benzothiazol-2-yl)-N-[6-(dimethylamino)-3-pyridinyl]pentanamide
CID 30295154
N-(3-anilinopropyl)-5-(1,3-benzothiazol-2-yl)pentanamide
CID 56541420
3-[4-[4-(1,3-benzothiazol-2-yl)butanoylamino]phenyl]propanoic acid
CID 119252157

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(3,5-difluorophenyl)pentanamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(3,5-difluorophenyl)pentanamide (CID 24530018) is 5-(1,3-benzothiazol-2-yl)-N-(3,5-difluorophenyl)pentanamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-(3,5-difluorophenyl)pentanamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-(3,5-difluorophenyl)pentanamide is O=C(CCCCc1nc2ccccc2s1)Nc1cc(F)cc(F)c1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-(3,5-difluorophenyl)pentanamide?
The InChIKey is WKPWHCGJXYNJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2OS/c19-12-9-13(20)11-14(10-12)21-17(23)7-3-4-8-18-22-15-5-1-2-6-16(15)24-18/h1-2,5-6,9-11H,3-4,7-8H2,(H,21,23).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-(3,5-difluorophenyl)pentanamide?
5-(1,3-benzothiazol-2-yl)-N-(3,5-difluorophenyl)pentanamide has a molecular weight of 346.40 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-(3,5-difluorophenyl)pentanamide is sourced from PubChem (CID 24530018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).