4,4-dimethyl-2-thiophen-3-yl-1,3-thiazolidine

C9H13NS2 — CID 66229914

IUPAC4,4-dimethyl-2-thiophen-3-yl-1,3-thiazolidine
SMILESCC1(C)CSC(c2ccsc2)N1
InChIInChI=1S/C9H13NS2/c1-9(2)6-12-8(10-9)7-3-4-11-5-7/h3-5,8,10H,6H2,1-2H3
InChIKeyFDHBUJPRGHFOCO-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.86
Rot. Bonds1

About 4,4-dimethyl-2-thiophen-3-yl-1,3-thiazolidine

4,4-dimethyl-2-thiophen-3-yl-1,3-thiazolidine (PubChem CID 66229914) has the molecular formula C9H13NS2 and a molecular weight of 199.34 g/mol. Its IUPAC name is 4,4-dimethyl-2-thiophen-3-yl-1,3-thiazolidine.

Molecular Properties

Compound Name4,4-dimethyl-2-thiophen-3-yl-1,3-thiazolidine
PubChem CID66229914
Molecular FormulaC9H13NS2
Molecular Weight199.34 g/mol
Exact Mass199.05
IUPAC Name4,4-dimethyl-2-thiophen-3-yl-1,3-thiazolidine
SMILESCC1(C)CSC(c2ccsc2)N1
InChIInChI=1S/C9H13NS2/c1-9(2)6-12-8(10-9)7-3-4-11-5-7/h3-5,8,10H,6H2,1-2H3
InChIKeyFDHBUJPRGHFOCO-UHFFFAOYSA-N
XLogP2.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-thiophen-3-yl-1,3-thiazolidine?
The IUPAC name of 4,4-dimethyl-2-thiophen-3-yl-1,3-thiazolidine (CID 66229914) is 4,4-dimethyl-2-thiophen-3-yl-1,3-thiazolidine.
What is the SMILES notation for 4,4-dimethyl-2-thiophen-3-yl-1,3-thiazolidine?
The canonical SMILES for 4,4-dimethyl-2-thiophen-3-yl-1,3-thiazolidine is CC1(C)CSC(c2ccsc2)N1.
What is the InChIKey of 4,4-dimethyl-2-thiophen-3-yl-1,3-thiazolidine?
The InChIKey is FDHBUJPRGHFOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS2/c1-9(2)6-12-8(10-9)7-3-4-11-5-7/h3-5,8,10H,6H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-thiophen-3-yl-1,3-thiazolidine?
4,4-dimethyl-2-thiophen-3-yl-1,3-thiazolidine has a molecular weight of 199.34 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-thiophen-3-yl-1,3-thiazolidine is sourced from PubChem (CID 66229914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).