3-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-pyridin-2-ylpropanamide

C18H14FN3O2S2 — CID 1371018

IUPAC3-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-pyridin-2-ylpropanamide
SMILESO=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccccn1
InChIInChI=1S/C18H14FN3O2S2/c19-13-6-2-1-5-12(13)11-14-17(24)22(18(25)26-14)10-8-16(23)21-15-7-3-4-9-20-15/h1-7,9,11H,8,10H2,(H,20,21,23)/b14-11-
InChIKeyVXDBYXIAGRIIQS-KAMYIIQDSA-N
MW387.46 g/mol
LogP3.45
Rot. Bonds5

About 3-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-pyridin-2-ylpropanamide

3-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-pyridin-2-ylpropanamide (PubChem CID 1371018) has the molecular formula C18H14FN3O2S2 and a molecular weight of 387.46 g/mol. Its IUPAC name is 3-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name3-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-pyridin-2-ylpropanamide
PubChem CID1371018
Molecular FormulaC18H14FN3O2S2
Molecular Weight387.46 g/mol
Exact Mass387.05
IUPAC Name3-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-pyridin-2-ylpropanamide
SMILESO=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccccn1
InChIInChI=1S/C18H14FN3O2S2/c19-13-6-2-1-5-12(13)11-14-17(24)22(18(25)26-14)10-8-16(23)21-15-7-3-4-9-20-15/h1-7,9,11H,8,10H2,(H,20,21,23)/b14-11-
InChIKeyVXDBYXIAGRIIQS-KAMYIIQDSA-N
XLogP3.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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CID 44157745
N-Cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 7620725
1-(5-fluoropentyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 118719600
(E)-2-cyano-3-(4-fluorophenyl)-N-(pyridin-2-yl)acrylamide
CID 5396610
1-[(4-methylphenyl)methyl]-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 24686893
1-[(4-methylphenyl)methyl]-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 24980408
4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(pyridin-2-yl)butanamide
CID 1416037
(5E)-5-{[2,5-dimethyl-1-(4-methylpyridin-2-yl)-1H-pyrrol-3-yl]methylidene}-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
CID 5829874
1-benzyl-N-cyclohexyl-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 7620138
N-cyclohexyl-1-(4-fluorobenzyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 7620714
N-(4-Fluorophenylethyl)-1-benzyl-1,8-naphthyridin-2(1H)-on-3-carboxamide
CID 44157663
N-[(3,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 76325481

Frequently Asked Questions

What is the IUPAC name of 3-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-pyridin-2-ylpropanamide?
The IUPAC name of 3-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-pyridin-2-ylpropanamide (CID 1371018) is 3-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 3-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-pyridin-2-ylpropanamide?
The canonical SMILES for 3-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-pyridin-2-ylpropanamide is O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccccn1.
What is the InChIKey of 3-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-pyridin-2-ylpropanamide?
The InChIKey is VXDBYXIAGRIIQS-KAMYIIQDSA-N. The full InChI is InChI=1S/C18H14FN3O2S2/c19-13-6-2-1-5-12(13)11-14-17(24)22(18(25)26-14)10-8-16(23)21-15-7-3-4-9-20-15/h1-7,9,11H,8,10H2,(H,20,21,23)/b14-11-.
What are the key properties of 3-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-pyridin-2-ylpropanamide?
3-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-pyridin-2-ylpropanamide has a molecular weight of 387.46 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 1371018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).