dipropan-2-yl 5-amino-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate

C15H20N2O5S — CID 751468

IUPACdipropan-2-yl 5-amino-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
SMILESCC(C)OC(=O)C1=C(N)N2C(=O)CSC2=C(C(=O)OC(C)C)C1
InChIInChI=1S/C15H20N2O5S/c1-7(2)21-14(19)9-5-10(15(20)22-8(3)4)13-17(12(9)16)11(18)6-23-13/h7-8H,5-6,16H2,1-4H3
InChIKeyJGDHLABWPXUUAU-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.25
Rot. Bonds4

About dipropan-2-yl 5-amino-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate

dipropan-2-yl 5-amino-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate (PubChem CID 751468) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is dipropan-2-yl 5-amino-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl 5-amino-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
PubChem CID751468
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Namedipropan-2-yl 5-amino-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
SMILESCC(C)OC(=O)C1=C(N)N2C(=O)CSC2=C(C(=O)OC(C)C)C1
InChIInChI=1S/C15H20N2O5S/c1-7(2)21-14(19)9-5-10(15(20)22-8(3)4)13-17(12(9)16)11(18)6-23-13/h7-8H,5-6,16H2,1-4H3
InChIKeyJGDHLABWPXUUAU-UHFFFAOYSA-N
XLogP1.25
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 5-amino-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate?
The IUPAC name of dipropan-2-yl 5-amino-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate (CID 751468) is dipropan-2-yl 5-amino-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate.
What is the SMILES notation for dipropan-2-yl 5-amino-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate?
The canonical SMILES for dipropan-2-yl 5-amino-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate is CC(C)OC(=O)C1=C(N)N2C(=O)CSC2=C(C(=O)OC(C)C)C1.
What is the InChIKey of dipropan-2-yl 5-amino-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate?
The InChIKey is JGDHLABWPXUUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-7(2)21-14(19)9-5-10(15(20)22-8(3)4)13-17(12(9)16)11(18)6-23-13/h7-8H,5-6,16H2,1-4H3.
What are the key properties of dipropan-2-yl 5-amino-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate?
dipropan-2-yl 5-amino-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate has a molecular weight of 340.40 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 5-amino-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate is sourced from PubChem (CID 751468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).