5,6-dimethylpyrrolo[2,1-b][1,3]thiazole

C8H9NS — CID 23261623

IUPAC5,6-dimethylpyrrolo[2,1-b][1,3]thiazole
SMILESCc1cc2sccn2c1C
InChIInChI=1S/C8H9NS/c1-6-5-8-9(7(6)2)3-4-10-8/h3-5H,1-2H3
InChIKeyDKMFGIBNBYNETD-UHFFFAOYSA-N
MW151.23 g/mol
LogP2.62
Rot. Bonds

About 5,6-dimethylpyrrolo[2,1-b][1,3]thiazole

5,6-dimethylpyrrolo[2,1-b][1,3]thiazole (PubChem CID 23261623) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 5,6-dimethylpyrrolo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5,6-dimethylpyrrolo[2,1-b][1,3]thiazole
PubChem CID23261623
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name5,6-dimethylpyrrolo[2,1-b][1,3]thiazole
SMILESCc1cc2sccn2c1C
InChIInChI=1S/C8H9NS/c1-6-5-8-9(7(6)2)3-4-10-8/h3-5H,1-2H3
InChIKeyDKMFGIBNBYNETD-UHFFFAOYSA-N
XLogP2.62
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethylpyrrolo[2,1-b][1,3]thiazole?
The IUPAC name of 5,6-dimethylpyrrolo[2,1-b][1,3]thiazole (CID 23261623) is 5,6-dimethylpyrrolo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5,6-dimethylpyrrolo[2,1-b][1,3]thiazole?
The canonical SMILES for 5,6-dimethylpyrrolo[2,1-b][1,3]thiazole is Cc1cc2sccn2c1C.
What is the InChIKey of 5,6-dimethylpyrrolo[2,1-b][1,3]thiazole?
The InChIKey is DKMFGIBNBYNETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-6-5-8-9(7(6)2)3-4-10-8/h3-5H,1-2H3.
What are the key properties of 5,6-dimethylpyrrolo[2,1-b][1,3]thiazole?
5,6-dimethylpyrrolo[2,1-b][1,3]thiazole has a molecular weight of 151.23 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylpyrrolo[2,1-b][1,3]thiazole is sourced from PubChem (CID 23261623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).