(5Z)-3-(2-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylideneimidazolidin-4-one

C19H11F2N3OS2 — CID 27718634

IUPAC(5Z)-3-(2-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1/C(=C/c2csc(-c3ccc(F)cc3)n2)NC(=S)N1c1ccccc1F
InChIInChI=1S/C19H11F2N3OS2/c20-12-7-5-11(6-8-12)17-22-13(10-27-17)9-15-18(25)24(19(26)23-15)16-4-2-1-3-14(16)21/h1-10H,(H,23,26)/b15-9-
InChIKeyAULJRSUGPNVHDH-DHDCSXOGSA-N
MW399.45 g/mol
LogP4.35
Rot. Bonds3

About (5Z)-3-(2-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylideneimidazolidin-4-one

(5Z)-3-(2-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 27718634) has the molecular formula C19H11F2N3OS2 and a molecular weight of 399.45 g/mol. Its IUPAC name is (5Z)-3-(2-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(2-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID27718634
Molecular FormulaC19H11F2N3OS2
Molecular Weight399.45 g/mol
Exact Mass399.03
IUPAC Name(5Z)-3-(2-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1/C(=C/c2csc(-c3ccc(F)cc3)n2)NC(=S)N1c1ccccc1F
InChIInChI=1S/C19H11F2N3OS2/c20-12-7-5-11(6-8-12)17-22-13(10-27-17)9-15-18(25)24(19(26)23-15)16-4-2-1-3-14(16)21/h1-10H,(H,23,26)/b15-9-
InChIKeyAULJRSUGPNVHDH-DHDCSXOGSA-N
XLogP4.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-fluorophenyl)-N-[4-[(Z)-[1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]-1,3-thiazol-2-yl]acetamide
CID 24510243
(5Z)-3-(2-fluorophenyl)-5-(naphthalen-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
CID 98671229
(5Z)-5-[(3,4-difluorophenyl)methylidene]-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one
CID 26494839
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]indene-1,3-dione
CID 17467522
(5Z)-5-[[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methylidene]-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one
CID 26494781
(5E)-3-(2-fluorophenyl)-5-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 98652781
(5E)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one
CID 26494850
(5E)-5-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one
CID 17452490
(5E)-5-[(1-benzylpyrazol-4-yl)methylidene]-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one
CID 37466953
(5E)-5-[[2-(difluoromethoxy)-3-methoxyphenyl]methylidene]-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one
CID 98385018
(3Z)-3-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylidene]-1-methylindol-2-one
CID 18279198
(5Z)-5-(2,3-dihydro-1,4-benzodioxin-5-ylmethylidene)-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one
CID 47061429

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-3-(2-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylideneimidazolidin-4-one (CID 27718634) is (5Z)-3-(2-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-3-(2-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-3-(2-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylideneimidazolidin-4-one is O=C1/C(=C/c2csc(-c3ccc(F)cc3)n2)NC(=S)N1c1ccccc1F.
What is the InChIKey of (5Z)-3-(2-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is AULJRSUGPNVHDH-DHDCSXOGSA-N. The full InChI is InChI=1S/C19H11F2N3OS2/c20-12-7-5-11(6-8-12)17-22-13(10-27-17)9-15-18(25)24(19(26)23-15)16-4-2-1-3-14(16)21/h1-10H,(H,23,26)/b15-9-.
What are the key properties of (5Z)-3-(2-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylideneimidazolidin-4-one?
(5Z)-3-(2-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 399.45 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 27718634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).