2-(2,5-dichlorothiophen-3-yl)-4,4-dimethyl-1,3-thiazolidine

C9H11Cl2NS2 — CID 131186053

IUPAC2-(2,5-dichlorothiophen-3-yl)-4,4-dimethyl-1,3-thiazolidine
SMILESCC1(C)CSC(c2cc(Cl)sc2Cl)N1
InChIInChI=1S/C9H11Cl2NS2/c1-9(2)4-13-8(12-9)5-3-6(10)14-7(5)11/h3,8,12H,4H2,1-2H3
InChIKeyQVKQXYCMBBOXDJ-UHFFFAOYSA-N
MW268.23 g/mol
LogP4.17
Rot. Bonds1

About 2-(2,5-dichlorothiophen-3-yl)-4,4-dimethyl-1,3-thiazolidine

2-(2,5-dichlorothiophen-3-yl)-4,4-dimethyl-1,3-thiazolidine (PubChem CID 131186053) has the molecular formula C9H11Cl2NS2 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-(2,5-dichlorothiophen-3-yl)-4,4-dimethyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(2,5-dichlorothiophen-3-yl)-4,4-dimethyl-1,3-thiazolidine
PubChem CID131186053
Molecular FormulaC9H11Cl2NS2
Molecular Weight268.23 g/mol
Exact Mass266.97
IUPAC Name2-(2,5-dichlorothiophen-3-yl)-4,4-dimethyl-1,3-thiazolidine
SMILESCC1(C)CSC(c2cc(Cl)sc2Cl)N1
InChIInChI=1S/C9H11Cl2NS2/c1-9(2)4-13-8(12-9)5-3-6(10)14-7(5)11/h3,8,12H,4H2,1-2H3
InChIKeyQVKQXYCMBBOXDJ-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorothiophen-3-yl)-4,4-dimethyl-1,3-thiazolidine?
The IUPAC name of 2-(2,5-dichlorothiophen-3-yl)-4,4-dimethyl-1,3-thiazolidine (CID 131186053) is 2-(2,5-dichlorothiophen-3-yl)-4,4-dimethyl-1,3-thiazolidine.
What is the SMILES notation for 2-(2,5-dichlorothiophen-3-yl)-4,4-dimethyl-1,3-thiazolidine?
The canonical SMILES for 2-(2,5-dichlorothiophen-3-yl)-4,4-dimethyl-1,3-thiazolidine is CC1(C)CSC(c2cc(Cl)sc2Cl)N1.
What is the InChIKey of 2-(2,5-dichlorothiophen-3-yl)-4,4-dimethyl-1,3-thiazolidine?
The InChIKey is QVKQXYCMBBOXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NS2/c1-9(2)4-13-8(12-9)5-3-6(10)14-7(5)11/h3,8,12H,4H2,1-2H3.
What are the key properties of 2-(2,5-dichlorothiophen-3-yl)-4,4-dimethyl-1,3-thiazolidine?
2-(2,5-dichlorothiophen-3-yl)-4,4-dimethyl-1,3-thiazolidine has a molecular weight of 268.23 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorothiophen-3-yl)-4,4-dimethyl-1,3-thiazolidine is sourced from PubChem (CID 131186053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).