2-(4-bromothiophen-3-yl)-5-methyl-1,3-thiazolidine

C8H10BrNS2 — CID 130524941

IUPAC2-(4-bromothiophen-3-yl)-5-methyl-1,3-thiazolidine
SMILESCC1CNC(c2cscc2Br)S1
InChIInChI=1S/C8H10BrNS2/c1-5-2-10-8(12-5)6-3-11-4-7(6)9/h3-5,8,10H,2H2,1H3
InChIKeyCTLUBFWUJXLHIE-UHFFFAOYSA-N
MW264.21 g/mol
LogP3.23
Rot. Bonds1

About 2-(4-bromothiophen-3-yl)-5-methyl-1,3-thiazolidine

2-(4-bromothiophen-3-yl)-5-methyl-1,3-thiazolidine (PubChem CID 130524941) has the molecular formula C8H10BrNS2 and a molecular weight of 264.21 g/mol. Its IUPAC name is 2-(4-bromothiophen-3-yl)-5-methyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(4-bromothiophen-3-yl)-5-methyl-1,3-thiazolidine
PubChem CID130524941
Molecular FormulaC8H10BrNS2
Molecular Weight264.21 g/mol
Exact Mass262.94
IUPAC Name2-(4-bromothiophen-3-yl)-5-methyl-1,3-thiazolidine
SMILESCC1CNC(c2cscc2Br)S1
InChIInChI=1S/C8H10BrNS2/c1-5-2-10-8(12-5)6-3-11-4-7(6)9/h3-5,8,10H,2H2,1H3
InChIKeyCTLUBFWUJXLHIE-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-3-yl)-5-methyl-1,3-thiazolidine?
The IUPAC name of 2-(4-bromothiophen-3-yl)-5-methyl-1,3-thiazolidine (CID 130524941) is 2-(4-bromothiophen-3-yl)-5-methyl-1,3-thiazolidine.
What is the SMILES notation for 2-(4-bromothiophen-3-yl)-5-methyl-1,3-thiazolidine?
The canonical SMILES for 2-(4-bromothiophen-3-yl)-5-methyl-1,3-thiazolidine is CC1CNC(c2cscc2Br)S1.
What is the InChIKey of 2-(4-bromothiophen-3-yl)-5-methyl-1,3-thiazolidine?
The InChIKey is CTLUBFWUJXLHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNS2/c1-5-2-10-8(12-5)6-3-11-4-7(6)9/h3-5,8,10H,2H2,1H3.
What are the key properties of 2-(4-bromothiophen-3-yl)-5-methyl-1,3-thiazolidine?
2-(4-bromothiophen-3-yl)-5-methyl-1,3-thiazolidine has a molecular weight of 264.21 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-3-yl)-5-methyl-1,3-thiazolidine is sourced from PubChem (CID 130524941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).