3-oxopentan-2-yl 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate

C13H16N2O3S2 — CID 71883303

IUPAC3-oxopentan-2-yl 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate
SMILESCCC(=O)C(C)OC(=O)c1cc2sc(N(C)C)nc2s1
InChIInChI=1S/C13H16N2O3S2/c1-5-8(16)7(2)18-12(17)10-6-9-11(19-10)14-13(20-9)15(3)4/h6-7H,5H2,1-4H3
InChIKeyIGXIPXLMXNKCNB-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.95
Rot. Bonds5

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

3-oxopentan-2-yl 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate (PubChem CID 71883303) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-oxopentan-2-yl 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Name3-oxopentan-2-yl 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate
PubChem CID71883303
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC Name3-oxopentan-2-yl 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate
SMILESCCC(=O)C(C)OC(=O)c1cc2sc(N(C)C)nc2s1
InChIInChI=1S/C13H16N2O3S2/c1-5-8(16)7(2)18-12(17)10-6-9-11(19-10)14-13(20-9)15(3)4/h6-7H,5H2,1-4H3
InChIKeyIGXIPXLMXNKCNB-UHFFFAOYSA-N
XLogP2.95
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-oxopentan-2-yl 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate?
The IUPAC name of 3-oxopentan-2-yl 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate (CID 71883303) is 3-oxopentan-2-yl 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate.
What is the SMILES notation for 3-oxopentan-2-yl 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate?
The canonical SMILES for 3-oxopentan-2-yl 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate is CCC(=O)C(C)OC(=O)c1cc2sc(N(C)C)nc2s1.
What is the InChIKey of 3-oxopentan-2-yl 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate?
The InChIKey is IGXIPXLMXNKCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-5-8(16)7(2)18-12(17)10-6-9-11(19-10)14-13(20-9)15(3)4/h6-7H,5H2,1-4H3.
What are the key properties of 3-oxopentan-2-yl 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate?
3-oxopentan-2-yl 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate has a molecular weight of 312.42 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxopentan-2-yl 2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 71883303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).