5-bromo-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-1,2-thiazolidine-3-carboxamide

C16H15BrFN3OS — CID 155700104

IUPAC5-bromo-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-1,2-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccc(Cc2cccc(F)c2)cn1)C1CC(Br)SN1
InChIInChI=1S/C16H15BrFN3OS/c17-14-8-13(21-23-14)16(22)20-15-5-4-11(9-19-15)6-10-2-1-3-12(18)7-10/h1-5,7,9,13-14,21H,6,8H2,(H,19,20,22)
InChIKeyWMZLKZUSZIXAIL-UHFFFAOYSA-N
MW396.29 g/mol
LogP3.48
Rot. Bonds4

About 5-bromo-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-1,2-thiazolidine-3-carboxamide

5-bromo-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-1,2-thiazolidine-3-carboxamide (PubChem CID 155700104) has the molecular formula C16H15BrFN3OS and a molecular weight of 396.29 g/mol. Its IUPAC name is 5-bromo-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-1,2-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-1,2-thiazolidine-3-carboxamide
PubChem CID155700104
Molecular FormulaC16H15BrFN3OS
Molecular Weight396.29 g/mol
Exact Mass395.01
IUPAC Name5-bromo-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-1,2-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccc(Cc2cccc(F)c2)cn1)C1CC(Br)SN1
InChIInChI=1S/C16H15BrFN3OS/c17-14-8-13(21-23-14)16(22)20-15-5-4-11(9-19-15)6-10-2-1-3-12(18)7-10/h1-5,7,9,13-14,21H,6,8H2,(H,19,20,22)
InChIKeyWMZLKZUSZIXAIL-UHFFFAOYSA-N
XLogP3.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 646044
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5-[(5-methylpyridin-2-yl)amino]-2-phenyl-5-(trifluoromethyl)-3,5-dihydro-4H-imidazol-4-one
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CID 2962122
5-[(4-Fluorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135414167
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CID 3056258
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CID 3204852
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CID 3204979
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1-benzyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-1,2-thiazolidine-3-carboxamide?
The IUPAC name of 5-bromo-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-1,2-thiazolidine-3-carboxamide (CID 155700104) is 5-bromo-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-1,2-thiazolidine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-1,2-thiazolidine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-1,2-thiazolidine-3-carboxamide is O=C(Nc1ccc(Cc2cccc(F)c2)cn1)C1CC(Br)SN1.
What is the InChIKey of 5-bromo-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-1,2-thiazolidine-3-carboxamide?
The InChIKey is WMZLKZUSZIXAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN3OS/c17-14-8-13(21-23-14)16(22)20-15-5-4-11(9-19-15)6-10-2-1-3-12(18)7-10/h1-5,7,9,13-14,21H,6,8H2,(H,19,20,22).
What are the key properties of 5-bromo-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-1,2-thiazolidine-3-carboxamide?
5-bromo-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-1,2-thiazolidine-3-carboxamide has a molecular weight of 396.29 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-1,2-thiazolidine-3-carboxamide is sourced from PubChem (CID 155700104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).