2-(2,6-difluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one

C15H13F2NOS2 — CID 25058769

IUPAC2-(2,6-difluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one
SMILESCc1ccc(CN2C(=O)CSC2c2c(F)cccc2F)s1
InChIInChI=1S/C15H13F2NOS2/c1-9-5-6-10(21-9)7-18-13(19)8-20-15(18)14-11(16)3-2-4-12(14)17/h2-6,15H,7-8H2,1H3
InChIKeyMBJMZGLEQRFQDB-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.11
Rot. Bonds3

About 2-(2,6-difluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one

2-(2,6-difluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one (PubChem CID 25058769) has the molecular formula C15H13F2NOS2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one
PubChem CID25058769
Molecular FormulaC15H13F2NOS2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name2-(2,6-difluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one
SMILESCc1ccc(CN2C(=O)CSC2c2c(F)cccc2F)s1
InChIInChI=1S/C15H13F2NOS2/c1-9-5-6-10(21-9)7-18-13(19)8-20-15(18)14-11(16)3-2-4-12(14)17/h2-6,15H,7-8H2,1H3
InChIKeyMBJMZGLEQRFQDB-UHFFFAOYSA-N
XLogP4.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-(4-fluorobenzyl)-2-((E)-(thiophen-2-ylmethylene)hydrazono)thiazolidin-4-one
CID 6877766
N-[(2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide
CID 8013080
(E)-N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 67511313
1-benzyl-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 24980824
2-[(4-methylbenzyl)thio]-N-(thien-2-ylmethyl)acetamide
CID 4229956
3-[(2-fluorobenzyl)thio]-N-(thien-2-ylmethyl)propanamide
CID 4987742
2-[(4-fluorobenzyl)thio]-N-(thien-2-ylmethyl)acetamide
CID 5045378
3-(4-fluorophenyl)-N-(2-thienylmethyl)acrylamide
CID 898352
1-(4-fluorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 94897962
(2E)-3-benzyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 5611304
(Z)-3-phenethyl-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-4-one
CID 1720469
(2-thienyl)[(S)-2-[p-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 815293

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-difluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one (CID 25058769) is 2-(2,6-difluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-difluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one is Cc1ccc(CN2C(=O)CSC2c2c(F)cccc2F)s1.
What is the InChIKey of 2-(2,6-difluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is MBJMZGLEQRFQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NOS2/c1-9-5-6-10(21-9)7-18-13(19)8-20-15(18)14-11(16)3-2-4-12(14)17/h2-6,15H,7-8H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one?
2-(2,6-difluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 325.41 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-3-[(5-methylthiophen-2-yl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 25058769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).