2-(3-bromothiophen-2-yl)-3-[(3,4-difluorophenyl)methyl]-1,3-thiazolidin-4-one

C14H10BrF2NOS2 — CID 3800197

IUPAC2-(3-bromothiophen-2-yl)-3-[(3,4-difluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2sccc2Br)N1Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H10BrF2NOS2/c15-9-3-4-20-13(9)14-18(12(19)7-21-14)6-8-1-2-10(16)11(17)5-8/h1-5,14H,6-7H2
InChIKeyGCTBQTPQHURDFO-UHFFFAOYSA-N
MW390.27 g/mol
LogP4.56
Rot. Bonds3

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

2-(3-bromothiophen-2-yl)-3-[(3,4-difluorophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 3800197) has the molecular formula C14H10BrF2NOS2 and a molecular weight of 390.27 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-3-[(3,4-difluorophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-3-[(3,4-difluorophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID3800197
Molecular FormulaC14H10BrF2NOS2
Molecular Weight390.27 g/mol
Exact Mass388.94
IUPAC Name2-(3-bromothiophen-2-yl)-3-[(3,4-difluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2sccc2Br)N1Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H10BrF2NOS2/c15-9-3-4-20-13(9)14-18(12(19)7-21-14)6-8-1-2-10(16)11(17)5-8/h1-5,14H,6-7H2
InChIKeyGCTBQTPQHURDFO-UHFFFAOYSA-N
XLogP4.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-Dibromophenyl)-3-(2-thienylmethyl)thiazolidin-4-one
CID 25058768
2-[(4-fluorobenzyl)thio]-N-(thien-2-ylmethyl)acetamide
CID 5045378
3-(4-Fluorobenzyl)-5-(2-thienylmethylene)-1,3-thiazolidine-2,4-dione
CID 1231450
2-(2,6-Difluorophenyl)-3-(2-thienylmethyl)thiazolidin-4-one
CID 25058680
2-(2,6-Difluorophenyl)-3-[(5-methyl-2-thienyl)methyl]thiazolidin-4-one
CID 25058769
(Z)-3-benzyl-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-4-one
CID 1722568
3-Benzyl-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 1722569
3-Benzyl-5-(2-thienylmethylene)-1,3-thiazolidine-2,4-dione
CID 1571570
(2-(3-Fluorophenyl)thiazolidin-3-yl)(thiophen-3-yl)methanone
CID 86264771
(2-(3-Fluorophenyl)thiazolidin-3-yl)(4-methylthiophen-2-yl)methanone
CID 86264772
3-[(3,5-Difluorophenyl)methyl]-2-thiophen-3-yl-1,3-thiazolidin-4-one
CID 3454035
3-(2-Thiophen-2-ylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 3456657

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-3-[(3,4-difluorophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-bromothiophen-2-yl)-3-[(3,4-difluorophenyl)methyl]-1,3-thiazolidin-4-one (CID 3800197) is 2-(3-bromothiophen-2-yl)-3-[(3,4-difluorophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-3-[(3,4-difluorophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-3-[(3,4-difluorophenyl)methyl]-1,3-thiazolidin-4-one is O=C1CSC(c2sccc2Br)N1Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-3-[(3,4-difluorophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is GCTBQTPQHURDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NOS2/c15-9-3-4-20-13(9)14-18(12(19)7-21-14)6-8-1-2-10(16)11(17)5-8/h1-5,14H,6-7H2.
What are the key properties of 2-(3-bromothiophen-2-yl)-3-[(3,4-difluorophenyl)methyl]-1,3-thiazolidin-4-one?
2-(3-bromothiophen-2-yl)-3-[(3,4-difluorophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 390.27 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-3-[(3,4-difluorophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3800197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).