N-(2-fluorophenyl)-N-[4-[(Z)-[1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]acetamide

C21H14F2N4O2S2 — CID 24510243

IUPACN-(2-fluorophenyl)-N-[4-[(Z)-[1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(/C=C2\NC(=S)N(c3ccccc3F)C2=O)cs1)c1ccccc1F
InChIInChI=1S/C21H14F2N4O2S2/c1-12(28)26(17-8-4-2-6-14(17)22)21-24-13(11-31-21)10-16-19(29)27(20(30)25-16)18-9-5-3-7-15(18)23/h2-11H,1H3,(H,25,30)/b16-10-
InChIKeyRTSZGOLNIMFNIU-YBEGLDIGSA-N
MW456.50 g/mol
LogP4.37
Rot. Bonds4

About N-(2-fluorophenyl)-N-[4-[(Z)-[1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]acetamide

N-(2-fluorophenyl)-N-[4-[(Z)-[1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 24510243) has the molecular formula C21H14F2N4O2S2 and a molecular weight of 456.50 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-[4-[(Z)-[1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-[4-[(Z)-[1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID24510243
Molecular FormulaC21H14F2N4O2S2
Molecular Weight456.50 g/mol
Exact Mass456.05
IUPAC NameN-(2-fluorophenyl)-N-[4-[(Z)-[1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(/C=C2\NC(=S)N(c3ccccc3F)C2=O)cs1)c1ccccc1F
InChIInChI=1S/C21H14F2N4O2S2/c1-12(28)26(17-8-4-2-6-14(17)22)21-24-13(11-31-21)10-16-19(29)27(20(30)25-16)18-9-5-3-7-15(18)23/h2-11H,1H3,(H,25,30)/b16-10-
InChIKeyRTSZGOLNIMFNIU-YBEGLDIGSA-N
XLogP4.37
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(Z)-[1-(4-chloro-2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 43025743
N-[4-[(Z)-[1-(4-chloro-2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide
CID 43025745
N-(2-fluorophenyl)-N-[4-[(E)-[2-(2-methylphenyl)-1,3-dioxoisoquinolin-4-ylidene]methyl]-1,3-thiazol-2-yl]acetamide
CID 43012017
N-(2-fluorophenyl)-N-[4-[(E)-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-thiazol-2-yl]acetamide
CID 167955239
N-(2-fluorophenyl)-N-(4-formyl-1,3-thiazol-2-yl)acetamide
CID 2090927
3-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]prop-2-enoic acid
CID 3852304
N-[4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
CID 9057964
N-(4-methoxyphenyl)-N-[4-[(Z)-[5-oxo-1-(4-propan-2-ylphenyl)-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]acetamide
CID 24510284
N-[4-[[1,3-dioxo-2-(pyridin-2-ylmethyl)isoquinolin-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
CID 25360875
N-[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
CID 8833043
N-[4-[(E)-3-(2,4-dimethylphenyl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
CID 9448432
(5Z)-3-(2-fluorophenyl)-5-(naphthalen-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
CID 98671229

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-[4-[(Z)-[1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-N-[4-[(Z)-[1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]acetamide (CID 24510243) is N-(2-fluorophenyl)-N-[4-[(Z)-[1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-[4-[(Z)-[1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-N-[4-[(Z)-[1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1nc(/C=C2\NC(=S)N(c3ccccc3F)C2=O)cs1)c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N-[4-[(Z)-[1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is RTSZGOLNIMFNIU-YBEGLDIGSA-N. The full InChI is InChI=1S/C21H14F2N4O2S2/c1-12(28)26(17-8-4-2-6-14(17)22)21-24-13(11-31-21)10-16-19(29)27(20(30)25-16)18-9-5-3-7-15(18)23/h2-11H,1H3,(H,25,30)/b16-10-.
What are the key properties of N-(2-fluorophenyl)-N-[4-[(Z)-[1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]acetamide?
N-(2-fluorophenyl)-N-[4-[(Z)-[1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 456.50 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-[4-[(Z)-[1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 24510243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).