(2R)-2-(5-bromothiophen-2-yl)-3-(2-methylsulfanylethyl)-1,3-thiazolidin-4-one

C10H12BrNOS3 — CID 44589356

IUPAC(2R)-2-(5-bromothiophen-2-yl)-3-(2-methylsulfanylethyl)-1,3-thiazolidin-4-one
SMILESCSCCN1C(=O)CS[C@@H]1c1ccc(Br)s1
InChIInChI=1S/C10H12BrNOS3/c1-14-5-4-12-9(13)6-15-10(12)7-2-3-8(11)16-7/h2-3,10H,4-6H2,1H3/t10-/m1/s1
InChIKeyOQMRLVVCBNRHLQ-SNVBAGLBSA-N
MW338.32 g/mol
LogP3.45
Rot. Bonds4

About (2R)-2-(5-bromothiophen-2-yl)-3-(2-methylsulfanylethyl)-1,3-thiazolidin-4-one

(2R)-2-(5-bromothiophen-2-yl)-3-(2-methylsulfanylethyl)-1,3-thiazolidin-4-one (PubChem CID 44589356) has the molecular formula C10H12BrNOS3 and a molecular weight of 338.32 g/mol. Its IUPAC name is (2R)-2-(5-bromothiophen-2-yl)-3-(2-methylsulfanylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-2-(5-bromothiophen-2-yl)-3-(2-methylsulfanylethyl)-1,3-thiazolidin-4-one
PubChem CID44589356
Molecular FormulaC10H12BrNOS3
Molecular Weight338.32 g/mol
Exact Mass336.93
IUPAC Name(2R)-2-(5-bromothiophen-2-yl)-3-(2-methylsulfanylethyl)-1,3-thiazolidin-4-one
SMILESCSCCN1C(=O)CS[C@@H]1c1ccc(Br)s1
InChIInChI=1S/C10H12BrNOS3/c1-14-5-4-12-9(13)6-15-10(12)7-2-3-8(11)16-7/h2-3,10H,4-6H2,1H3/t10-/m1/s1
InChIKeyOQMRLVVCBNRHLQ-SNVBAGLBSA-N
XLogP3.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-bromothiophen-2-yl)-3-(2-methylsulfanylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-2-(5-bromothiophen-2-yl)-3-(2-methylsulfanylethyl)-1,3-thiazolidin-4-one (CID 44589356) is (2R)-2-(5-bromothiophen-2-yl)-3-(2-methylsulfanylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-2-(5-bromothiophen-2-yl)-3-(2-methylsulfanylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-2-(5-bromothiophen-2-yl)-3-(2-methylsulfanylethyl)-1,3-thiazolidin-4-one is CSCCN1C(=O)CS[C@@H]1c1ccc(Br)s1.
What is the InChIKey of (2R)-2-(5-bromothiophen-2-yl)-3-(2-methylsulfanylethyl)-1,3-thiazolidin-4-one?
The InChIKey is OQMRLVVCBNRHLQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12BrNOS3/c1-14-5-4-12-9(13)6-15-10(12)7-2-3-8(11)16-7/h2-3,10H,4-6H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-(5-bromothiophen-2-yl)-3-(2-methylsulfanylethyl)-1,3-thiazolidin-4-one?
(2R)-2-(5-bromothiophen-2-yl)-3-(2-methylsulfanylethyl)-1,3-thiazolidin-4-one has a molecular weight of 338.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-bromothiophen-2-yl)-3-(2-methylsulfanylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 44589356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).