5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

C11H14N4S2 — CID 68762571

IUPAC5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESc1nc2c(s1)CNC2.c1nc2c(s1)CNCC2
InChIInChI=1S/C6H8N2S.C5H6N2S/c1-2-7-3-6-5(1)8-4-9-6;1-4-5(2-6-1)8-3-7-4/h4,7H,1-3H2;3,6H,1-2H2
InChIKeyUAFPGZCESRDQHM-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.54
Rot. Bonds

About 5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 68762571) has the molecular formula C11H14N4S2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID68762571
Molecular FormulaC11H14N4S2
Molecular Weight266.39 g/mol
Exact Mass266.07
IUPAC Name5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESc1nc2c(s1)CNC2.c1nc2c(s1)CNCC2
InChIInChI=1S/C6H8N2S.C5H6N2S/c1-2-7-3-6-5(1)8-4-9-6;1-4-5(2-6-1)8-3-7-4/h4,7H,1-3H2;3,6H,1-2H2
InChIKeyUAFPGZCESRDQHM-UHFFFAOYSA-N
XLogP1.54
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 68762571) is 5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is c1nc2c(s1)CNC2.c1nc2c(s1)CNCC2.
What is the InChIKey of 5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is UAFPGZCESRDQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S.C5H6N2S/c1-2-7-3-6-5(1)8-4-9-6;1-4-5(2-6-1)8-3-7-4/h4,7H,1-3H2;3,6H,1-2H2.
What are the key properties of 5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 266.39 g/mol, XLogP of 1.54, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 68762571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).