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

C14H10BrF2NOS2 — CID 5191424

IUPAC2-(5-bromothiophen-2-yl)-3-[(3,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Br)s2)N1Cc1cc(F)cc(F)c1
InChIInChI=1S/C14H10BrF2NOS2/c15-12-2-1-11(21-12)14-18(13(19)7-20-14)6-8-3-9(16)5-10(17)4-8/h1-5,14H,6-7H2
InChIKeyNZOZQXBSAPNRAW-UHFFFAOYSA-N
MW390.27 g/mol
LogP4.56
Rot. Bonds3

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

2-(5-bromothiophen-2-yl)-3-[(3,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 5191424) has the molecular formula C14H10BrF2NOS2 and a molecular weight of 390.27 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-3-[(3,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-3-[(3,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID5191424
Molecular FormulaC14H10BrF2NOS2
Molecular Weight390.27 g/mol
Exact Mass388.94
IUPAC Name2-(5-bromothiophen-2-yl)-3-[(3,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Br)s2)N1Cc1cc(F)cc(F)c1
InChIInChI=1S/C14H10BrF2NOS2/c15-12-2-1-11(21-12)14-18(13(19)7-20-14)6-8-3-9(16)5-10(17)4-8/h1-5,14H,6-7H2
InChIKeyNZOZQXBSAPNRAW-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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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-3-[(3,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(5-bromothiophen-2-yl)-3-[(3,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one (CID 5191424) is 2-(5-bromothiophen-2-yl)-3-[(3,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-3-[(3,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-3-[(3,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(Br)s2)N1Cc1cc(F)cc(F)c1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-3-[(3,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is NZOZQXBSAPNRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NOS2/c15-12-2-1-11(21-12)14-18(13(19)7-20-14)6-8-3-9(16)5-10(17)4-8/h1-5,14H,6-7H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-3-[(3,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one?
2-(5-bromothiophen-2-yl)-3-[(3,5-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-(5-bromothiophen-2-yl)-3-[(3,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 5191424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).