2-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole

C7H10N2S — CID 83682035

IUPAC2-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole
SMILESCCc1nc2c(s1)CNC2
InChIInChI=1S/C7H10N2S/c1-2-7-9-5-3-8-4-6(5)10-7/h8H,2-4H2,1H3
InChIKeyHGNUYZMVIWTWQV-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.31
Rot. Bonds1

About 2-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole

2-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole (PubChem CID 83682035) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 2-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole.

Molecular Properties

Compound Name2-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole
PubChem CID83682035
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name2-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole
SMILESCCc1nc2c(s1)CNC2
InChIInChI=1S/C7H10N2S/c1-2-7-9-5-3-8-4-6(5)10-7/h8H,2-4H2,1H3
InChIKeyHGNUYZMVIWTWQV-UHFFFAOYSA-N
XLogP1.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole?
The IUPAC name of 2-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole (CID 83682035) is 2-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole.
What is the SMILES notation for 2-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole?
The canonical SMILES for 2-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole is CCc1nc2c(s1)CNC2.
What is the InChIKey of 2-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole?
The InChIKey is HGNUYZMVIWTWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-2-7-9-5-3-8-4-6(5)10-7/h8H,2-4H2,1H3.
What are the key properties of 2-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole?
2-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole has a molecular weight of 154.24 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole is sourced from PubChem (CID 83682035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).