(2-oxooxolan-3-yl) 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate

C14H16N2O4S2 — CID 75405859

IUPAC(2-oxooxolan-3-yl) 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate
SMILESCCN(CC)c1nc2sc(C(=O)OC3CCOC3=O)cc2s1
InChIInChI=1S/C14H16N2O4S2/c1-3-16(4-2)14-15-11-9(22-14)7-10(21-11)13(18)20-8-5-6-19-12(8)17/h7-8H,3-6H2,1-2H3
InChIKeyZCYXVHKLDRVRDD-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.68
Rot. Bonds5

About (2-oxooxolan-3-yl) 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate

(2-oxooxolan-3-yl) 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate (PubChem CID 75405859) has the molecular formula C14H16N2O4S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate
PubChem CID75405859
Molecular FormulaC14H16N2O4S2
Molecular Weight340.43 g/mol
Exact Mass340.06
IUPAC Name(2-oxooxolan-3-yl) 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate
SMILESCCN(CC)c1nc2sc(C(=O)OC3CCOC3=O)cc2s1
InChIInChI=1S/C14H16N2O4S2/c1-3-16(4-2)14-15-11-9(22-14)7-10(21-11)13(18)20-8-5-6-19-12(8)17/h7-8H,3-6H2,1-2H3
InChIKeyZCYXVHKLDRVRDD-UHFFFAOYSA-N
XLogP2.68
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate?
The IUPAC name of (2-oxooxolan-3-yl) 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate (CID 75405859) is (2-oxooxolan-3-yl) 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate?
The canonical SMILES for (2-oxooxolan-3-yl) 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate is CCN(CC)c1nc2sc(C(=O)OC3CCOC3=O)cc2s1.
What is the InChIKey of (2-oxooxolan-3-yl) 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate?
The InChIKey is ZCYXVHKLDRVRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S2/c1-3-16(4-2)14-15-11-9(22-14)7-10(21-11)13(18)20-8-5-6-19-12(8)17/h7-8H,3-6H2,1-2H3.
What are the key properties of (2-oxooxolan-3-yl) 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate?
(2-oxooxolan-3-yl) 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate has a molecular weight of 340.43 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 2-(diethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 75405859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).