4,6a-dihydro-2H-cyclopenta[d][1,3]thiazole

C6H7NS — CID 91572485

IUPAC4,6a-dihydro-2H-cyclopenta[d][1,3]thiazole
SMILESC1=CC2SCN=C2C1
InChIInChI=1S/C6H7NS/c1-2-5-6(3-1)8-4-7-5/h1,3,6H,2,4H2
InChIKeyXGYQISVSHDSPNH-UHFFFAOYSA-N
MW125.20 g/mol
LogP1.46
Rot. Bonds

About 4,6a-dihydro-2H-cyclopenta[d][1,3]thiazole

4,6a-dihydro-2H-cyclopenta[d][1,3]thiazole (PubChem CID 91572485) has the molecular formula C6H7NS and a molecular weight of 125.20 g/mol. Its IUPAC name is 4,6a-dihydro-2H-cyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name4,6a-dihydro-2H-cyclopenta[d][1,3]thiazole
PubChem CID91572485
Molecular FormulaC6H7NS
Molecular Weight125.20 g/mol
Exact Mass125.03
IUPAC Name4,6a-dihydro-2H-cyclopenta[d][1,3]thiazole
SMILESC1=CC2SCN=C2C1
InChIInChI=1S/C6H7NS/c1-2-5-6(3-1)8-4-7-5/h1,3,6H,2,4H2
InChIKeyXGYQISVSHDSPNH-UHFFFAOYSA-N
XLogP1.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.20
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2H-cyclopenta[d][1,3]thiazole
CID 68680992
2,4,5,7a-Tetrahydro-1,3-benzothiazole
CID 57194343
4,5-dihydro-2H-cyclopenta[d][1,3]thiazole
CID 123859424

Frequently Asked Questions

What is the IUPAC name of 4,6a-dihydro-2H-cyclopenta[d][1,3]thiazole?
The IUPAC name of 4,6a-dihydro-2H-cyclopenta[d][1,3]thiazole (CID 91572485) is 4,6a-dihydro-2H-cyclopenta[d][1,3]thiazole.
What is the SMILES notation for 4,6a-dihydro-2H-cyclopenta[d][1,3]thiazole?
The canonical SMILES for 4,6a-dihydro-2H-cyclopenta[d][1,3]thiazole is C1=CC2SCN=C2C1.
What is the InChIKey of 4,6a-dihydro-2H-cyclopenta[d][1,3]thiazole?
The InChIKey is XGYQISVSHDSPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS/c1-2-5-6(3-1)8-4-7-5/h1,3,6H,2,4H2.
What are the key properties of 4,6a-dihydro-2H-cyclopenta[d][1,3]thiazole?
4,6a-dihydro-2H-cyclopenta[d][1,3]thiazole has a molecular weight of 125.20 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6a-dihydro-2H-cyclopenta[d][1,3]thiazole is sourced from PubChem (CID 91572485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).