[(2E)-2-[[2-(4-fluoroanilino)-1,3-thiazol-4-yl]methylidene]-1,3-thiazolidin-3-yl]-(2-methyl-1,3-oxazol-4-yl)methanone

C18H15FN4O2S2 — CID 100577151

IUPAC[(2E)-2-[[2-(4-fluoroanilino)-1,3-thiazol-4-yl]methylidene]-1,3-thiazolidin-3-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCS/C2=C/c2csc(Nc3ccc(F)cc3)n2)co1
InChIInChI=1S/C18H15FN4O2S2/c1-11-20-15(9-25-11)17(24)23-6-7-26-16(23)8-14-10-27-18(22-14)21-13-4-2-12(19)3-5-13/h2-5,8-10H,6-7H2,1H3,(H,21,22)/b16-8+
InChIKeyBMHQXMBFVCIJAD-LZYBPNLTSA-N
MW402.48 g/mol
LogP4.51
Rot. Bonds4

About [(2E)-2-[[2-(4-fluoroanilino)-1,3-thiazol-4-yl]methylidene]-1,3-thiazolidin-3-yl]-(2-methyl-1,3-oxazol-4-yl)methanone

[(2E)-2-[[2-(4-fluoroanilino)-1,3-thiazol-4-yl]methylidene]-1,3-thiazolidin-3-yl]-(2-methyl-1,3-oxazol-4-yl)methanone (PubChem CID 100577151) has the molecular formula C18H15FN4O2S2 and a molecular weight of 402.48 g/mol. Its IUPAC name is [(2E)-2-[[2-(4-fluoroanilino)-1,3-thiazol-4-yl]methylidene]-1,3-thiazolidin-3-yl]-(2-methyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(2E)-2-[[2-(4-fluoroanilino)-1,3-thiazol-4-yl]methylidene]-1,3-thiazolidin-3-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
PubChem CID100577151
Molecular FormulaC18H15FN4O2S2
Molecular Weight402.48 g/mol
Exact Mass402.06
IUPAC Name[(2E)-2-[[2-(4-fluoroanilino)-1,3-thiazol-4-yl]methylidene]-1,3-thiazolidin-3-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCS/C2=C/c2csc(Nc3ccc(F)cc3)n2)co1
InChIInChI=1S/C18H15FN4O2S2/c1-11-20-15(9-25-11)17(24)23-6-7-26-16(23)8-14-10-27-18(22-14)21-13-4-2-12(19)3-5-13/h2-5,8-10H,6-7H2,1H3,(H,21,22)/b16-8+
InChIKeyBMHQXMBFVCIJAD-LZYBPNLTSA-N
XLogP4.51
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2E)-2-[[2-(4-fluoroanilino)-1,3-thiazol-4-yl]methylidene]-1,3-thiazolidin-3-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [(2E)-2-[[2-(4-fluoroanilino)-1,3-thiazol-4-yl]methylidene]-1,3-thiazolidin-3-yl]-(2-methyl-1,3-oxazol-4-yl)methanone (CID 100577151) is [(2E)-2-[[2-(4-fluoroanilino)-1,3-thiazol-4-yl]methylidene]-1,3-thiazolidin-3-yl]-(2-methyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [(2E)-2-[[2-(4-fluoroanilino)-1,3-thiazol-4-yl]methylidene]-1,3-thiazolidin-3-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [(2E)-2-[[2-(4-fluoroanilino)-1,3-thiazol-4-yl]methylidene]-1,3-thiazolidin-3-yl]-(2-methyl-1,3-oxazol-4-yl)methanone is Cc1nc(C(=O)N2CCS/C2=C/c2csc(Nc3ccc(F)cc3)n2)co1.
What is the InChIKey of [(2E)-2-[[2-(4-fluoroanilino)-1,3-thiazol-4-yl]methylidene]-1,3-thiazolidin-3-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
The InChIKey is BMHQXMBFVCIJAD-LZYBPNLTSA-N. The full InChI is InChI=1S/C18H15FN4O2S2/c1-11-20-15(9-25-11)17(24)23-6-7-26-16(23)8-14-10-27-18(22-14)21-13-4-2-12(19)3-5-13/h2-5,8-10H,6-7H2,1H3,(H,21,22)/b16-8+.
What are the key properties of [(2E)-2-[[2-(4-fluoroanilino)-1,3-thiazol-4-yl]methylidene]-1,3-thiazolidin-3-yl]-(2-methyl-1,3-oxazol-4-yl)methanone?
[(2E)-2-[[2-(4-fluoroanilino)-1,3-thiazol-4-yl]methylidene]-1,3-thiazolidin-3-yl]-(2-methyl-1,3-oxazol-4-yl)methanone has a molecular weight of 402.48 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-[[2-(4-fluoroanilino)-1,3-thiazol-4-yl]methylidene]-1,3-thiazolidin-3-yl]-(2-methyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 100577151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).