ethyl 2-[[2-(5-methylthiophen-2-yl)-1,3-thiazolidine-3-carbonyl]amino]acetate

C13H18N2O3S2 — CID 4182968

IUPACethyl 2-[[2-(5-methylthiophen-2-yl)-1,3-thiazolidine-3-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCSC1c1ccc(C)s1
InChIInChI=1S/C13H18N2O3S2/c1-3-18-11(16)8-14-13(17)15-6-7-19-12(15)10-5-4-9(2)20-10/h4-5,12H,3,6-8H2,1-2H3,(H,14,17)
InChIKeyRHCMNDGPEKYTLB-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.38
Rot. Bonds4

About ethyl 2-[[2-(5-methylthiophen-2-yl)-1,3-thiazolidine-3-carbonyl]amino]acetate

ethyl 2-[[2-(5-methylthiophen-2-yl)-1,3-thiazolidine-3-carbonyl]amino]acetate (PubChem CID 4182968) has the molecular formula C13H18N2O3S2 and a molecular weight of 314.43 g/mol. Its IUPAC name is ethyl 2-[[2-(5-methylthiophen-2-yl)-1,3-thiazolidine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(5-methylthiophen-2-yl)-1,3-thiazolidine-3-carbonyl]amino]acetate
PubChem CID4182968
Molecular FormulaC13H18N2O3S2
Molecular Weight314.43 g/mol
Exact Mass314.08
IUPAC Nameethyl 2-[[2-(5-methylthiophen-2-yl)-1,3-thiazolidine-3-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCSC1c1ccc(C)s1
InChIInChI=1S/C13H18N2O3S2/c1-3-18-11(16)8-14-13(17)15-6-7-19-12(15)10-5-4-9(2)20-10/h4-5,12H,3,6-8H2,1-2H3,(H,14,17)
InChIKeyRHCMNDGPEKYTLB-UHFFFAOYSA-N
XLogP2.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(5-methylthiophen-2-yl)-1,3-thiazolidine-3-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(5-methylthiophen-2-yl)-1,3-thiazolidine-3-carbonyl]amino]acetate (CID 4182968) is ethyl 2-[[2-(5-methylthiophen-2-yl)-1,3-thiazolidine-3-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(5-methylthiophen-2-yl)-1,3-thiazolidine-3-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(5-methylthiophen-2-yl)-1,3-thiazolidine-3-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCSC1c1ccc(C)s1.
What is the InChIKey of ethyl 2-[[2-(5-methylthiophen-2-yl)-1,3-thiazolidine-3-carbonyl]amino]acetate?
The InChIKey is RHCMNDGPEKYTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S2/c1-3-18-11(16)8-14-13(17)15-6-7-19-12(15)10-5-4-9(2)20-10/h4-5,12H,3,6-8H2,1-2H3,(H,14,17).
What are the key properties of ethyl 2-[[2-(5-methylthiophen-2-yl)-1,3-thiazolidine-3-carbonyl]amino]acetate?
ethyl 2-[[2-(5-methylthiophen-2-yl)-1,3-thiazolidine-3-carbonyl]amino]acetate has a molecular weight of 314.43 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(5-methylthiophen-2-yl)-1,3-thiazolidine-3-carbonyl]amino]acetate is sourced from PubChem (CID 4182968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).