3-(4-methylphenyl)-2-thiophen-2-yl-1,3-thiazolidine

C14H15NS2 — CID 4235597

IUPAC3-(4-methylphenyl)-2-thiophen-2-yl-1,3-thiazolidine
SMILESCc1ccc(N2CCSC2c2cccs2)cc1
InChIInChI=1S/C14H15NS2/c1-11-4-6-12(7-5-11)15-8-10-17-14(15)13-3-2-9-16-13/h2-7,9,14H,8,10H2,1H3
InChIKeyGYTGKKSCMZWRAY-UHFFFAOYSA-N
MW261.42 g/mol
LogP4.31
Rot. Bonds2

About 3-(4-methylphenyl)-2-thiophen-2-yl-1,3-thiazolidine

3-(4-methylphenyl)-2-thiophen-2-yl-1,3-thiazolidine (PubChem CID 4235597) has the molecular formula C14H15NS2 and a molecular weight of 261.42 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-thiophen-2-yl-1,3-thiazolidine.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-thiophen-2-yl-1,3-thiazolidine
PubChem CID4235597
Molecular FormulaC14H15NS2
Molecular Weight261.42 g/mol
Exact Mass261.06
IUPAC Name3-(4-methylphenyl)-2-thiophen-2-yl-1,3-thiazolidine
SMILESCc1ccc(N2CCSC2c2cccs2)cc1
InChIInChI=1S/C14H15NS2/c1-11-4-6-12(7-5-11)15-8-10-17-14(15)13-3-2-9-16-13/h2-7,9,14H,8,10H2,1H3
InChIKeyGYTGKKSCMZWRAY-UHFFFAOYSA-N
XLogP4.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.42
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-thiophen-2-yl-1,3-thiazolidine?
The IUPAC name of 3-(4-methylphenyl)-2-thiophen-2-yl-1,3-thiazolidine (CID 4235597) is 3-(4-methylphenyl)-2-thiophen-2-yl-1,3-thiazolidine.
What is the SMILES notation for 3-(4-methylphenyl)-2-thiophen-2-yl-1,3-thiazolidine?
The canonical SMILES for 3-(4-methylphenyl)-2-thiophen-2-yl-1,3-thiazolidine is Cc1ccc(N2CCSC2c2cccs2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2-thiophen-2-yl-1,3-thiazolidine?
The InChIKey is GYTGKKSCMZWRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS2/c1-11-4-6-12(7-5-11)15-8-10-17-14(15)13-3-2-9-16-13/h2-7,9,14H,8,10H2,1H3.
What are the key properties of 3-(4-methylphenyl)-2-thiophen-2-yl-1,3-thiazolidine?
3-(4-methylphenyl)-2-thiophen-2-yl-1,3-thiazolidine has a molecular weight of 261.42 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2-thiophen-2-yl-1,3-thiazolidine is sourced from PubChem (CID 4235597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).