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

C14H10ClF2NOS2 — CID 3741521

IUPAC2-(5-chlorothiophen-2-yl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Cl)s2)N1Cc1cc(F)ccc1F
InChIInChI=1S/C14H10ClF2NOS2/c15-12-4-3-11(21-12)14-18(13(19)7-20-14)6-8-5-9(16)1-2-10(8)17/h1-5,14H,6-7H2
InChIKeyQGRJJASGWGITFO-UHFFFAOYSA-N
MW345.82 g/mol
LogP4.45
Rot. Bonds3

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

2-(5-chlorothiophen-2-yl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 3741521) has the molecular formula C14H10ClF2NOS2 and a molecular weight of 345.82 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID3741521
Molecular FormulaC14H10ClF2NOS2
Molecular Weight345.82 g/mol
Exact Mass344.99
IUPAC Name2-(5-chlorothiophen-2-yl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Cl)s2)N1Cc1cc(F)ccc1F
InChIInChI=1S/C14H10ClF2NOS2/c15-12-4-3-11(21-12)14-18(13(19)7-20-14)6-8-5-9(16)1-2-10(8)17/h1-5,14H,6-7H2
InChIKeyQGRJJASGWGITFO-UHFFFAOYSA-N
XLogP4.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.82
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one (CID 3741521) is 2-(5-chlorothiophen-2-yl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(Cl)s2)N1Cc1cc(F)ccc1F.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is QGRJJASGWGITFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NOS2/c15-12-4-3-11(21-12)14-18(13(19)7-20-14)6-8-5-9(16)1-2-10(8)17/h1-5,14H,6-7H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one?
2-(5-chlorothiophen-2-yl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 345.82 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3741521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).