3-(1,3-benzothiazol-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide

C19H19FN2OS2 — CID 8743818

IUPAC3-(1,3-benzothiazol-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide
SMILESO=C(CCc1nc2ccccc2s1)NCCSCc1ccccc1F
InChIInChI=1S/C19H19FN2OS2/c20-15-6-2-1-5-14(15)13-24-12-11-21-18(23)9-10-19-22-16-7-3-4-8-17(16)25-19/h1-8H,9-13H2,(H,21,23)
InChIKeyUVFVMKYCNLSJNW-UHFFFAOYSA-N
MW374.51 g/mol
LogP4.42
Rot. Bonds8

About 3-(1,3-benzothiazol-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide

3-(1,3-benzothiazol-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide (PubChem CID 8743818) has the molecular formula C19H19FN2OS2 and a molecular weight of 374.51 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide
PubChem CID8743818
Molecular FormulaC19H19FN2OS2
Molecular Weight374.51 g/mol
Exact Mass374.09
IUPAC Name3-(1,3-benzothiazol-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide
SMILESO=C(CCc1nc2ccccc2s1)NCCSCc1ccccc1F
InChIInChI=1S/C19H19FN2OS2/c20-15-6-2-1-5-14(15)13-24-12-11-21-18(23)9-10-19-22-16-7-3-4-8-17(16)25-19/h1-8H,9-13H2,(H,21,23)
InChIKeyUVFVMKYCNLSJNW-UHFFFAOYSA-N
XLogP4.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-benzothiazol-2-yl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 55381367
3-(1,3-benzothiazol-2-yl)-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 60654358
3-(1,3-benzothiazol-2-yl)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
CID 9472025
3-(1,3-benzothiazol-2-yl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide
CID 18104552
3-(1,3-benzothiazol-2-yl)-N-prop-2-ynylpropanamide
CID 27741117
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 46673381
3-(1,3-benzothiazol-2-yl)-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 103770425
3-(1,3-benzothiazol-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115699694
3-(1,3-benzothiazol-2-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
CID 24542870
methyl 6-[3-(1,3-benzothiazol-2-yl)propanoylamino]hexanoate
CID 9221053
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(2-ethoxyphenyl)propanamide
CID 51208011
2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 24673136

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide (CID 8743818) is 3-(1,3-benzothiazol-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide is O=C(CCc1nc2ccccc2s1)NCCSCc1ccccc1F.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide?
The InChIKey is UVFVMKYCNLSJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2OS2/c20-15-6-2-1-5-14(15)13-24-12-11-21-18(23)9-10-19-22-16-7-3-4-8-17(16)25-19/h1-8H,9-13H2,(H,21,23).
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide?
3-(1,3-benzothiazol-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide has a molecular weight of 374.51 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide is sourced from PubChem (CID 8743818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).