4-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide

C11H16N4O2S — CID 66864256

IUPAC4-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide
SMILESCC(C)C1c2sc(C(N)=O)nc2CCN1C(N)=O
InChIInChI=1S/C11H16N4O2S/c1-5(2)7-8-6(3-4-15(7)11(13)17)14-10(18-8)9(12)16/h5,7H,3-4H2,1-2H3,(H2,12,16)(H2,13,17)
InChIKeyDIUNVUDPCMEPEI-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.88
Rot. Bonds2

About 4-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide

4-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide (PubChem CID 66864256) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name4-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide
PubChem CID66864256
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name4-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide
SMILESCC(C)C1c2sc(C(N)=O)nc2CCN1C(N)=O
InChIInChI=1S/C11H16N4O2S/c1-5(2)7-8-6(3-4-15(7)11(13)17)14-10(18-8)9(12)16/h5,7H,3-4H2,1-2H3,(H2,12,16)(H2,13,17)
InChIKeyDIUNVUDPCMEPEI-UHFFFAOYSA-N
XLogP0.88
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide?
The IUPAC name of 4-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide (CID 66864256) is 4-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 4-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide?
The canonical SMILES for 4-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide is CC(C)C1c2sc(C(N)=O)nc2CCN1C(N)=O.
What is the InChIKey of 4-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide?
The InChIKey is DIUNVUDPCMEPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-5(2)7-8-6(3-4-15(7)11(13)17)14-10(18-8)9(12)16/h5,7H,3-4H2,1-2H3,(H2,12,16)(H2,13,17).
What are the key properties of 4-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide?
4-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide has a molecular weight of 268.34 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 66864256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).