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

C9H12N2S — CID 82374899

IUPAC2-cyclopropyl-6-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole
SMILESCC1NCc2nc(C3CC3)sc21
InChIInChI=1S/C9H12N2S/c1-5-8-7(4-10-5)11-9(12-8)6-2-3-6/h5-6,10H,2-4H2,1H3
InChIKeyQCZSBYMZCQZQCL-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.18
Rot. Bonds1

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

2-cyclopropyl-6-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole (PubChem CID 82374899) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 2-cyclopropyl-6-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole.

Molecular Properties

Compound Name2-cyclopropyl-6-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole
PubChem CID82374899
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name2-cyclopropyl-6-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole
SMILESCC1NCc2nc(C3CC3)sc21
InChIInChI=1S/C9H12N2S/c1-5-8-7(4-10-5)11-9(12-8)6-2-3-6/h5-6,10H,2-4H2,1H3
InChIKeyQCZSBYMZCQZQCL-UHFFFAOYSA-N
XLogP2.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole?
The IUPAC name of 2-cyclopropyl-6-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole (CID 82374899) is 2-cyclopropyl-6-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole.
What is the SMILES notation for 2-cyclopropyl-6-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole?
The canonical SMILES for 2-cyclopropyl-6-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole is CC1NCc2nc(C3CC3)sc21.
What is the InChIKey of 2-cyclopropyl-6-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole?
The InChIKey is QCZSBYMZCQZQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-5-8-7(4-10-5)11-9(12-8)6-2-3-6/h5-6,10H,2-4H2,1H3.
What are the key properties of 2-cyclopropyl-6-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole?
2-cyclopropyl-6-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole has a molecular weight of 180.28 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole is sourced from PubChem (CID 82374899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).