4,6-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

C8H11NS — CID 23572843

IUPAC4,6-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESCC1CC(C)c2scnc21
InChIInChI=1S/C8H11NS/c1-5-3-6(2)8-7(5)9-4-10-8/h4-6H,3H2,1-2H3
InChIKeyQTGKAYZPFOMAKG-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.75
Rot. Bonds

About 4,6-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

4,6-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (PubChem CID 23572843) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 4,6-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name4,6-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
PubChem CID23572843
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name4,6-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESCC1CC(C)c2scnc21
InChIInChI=1S/C8H11NS/c1-5-3-6(2)8-7(5)9-4-10-8/h4-6H,3H2,1-2H3
InChIKeyQTGKAYZPFOMAKG-UHFFFAOYSA-N
XLogP2.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The IUPAC name of 4,6-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (CID 23572843) is 4,6-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.
What is the SMILES notation for 4,6-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The canonical SMILES for 4,6-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is CC1CC(C)c2scnc21.
What is the InChIKey of 4,6-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The InChIKey is QTGKAYZPFOMAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-5-3-6(2)8-7(5)9-4-10-8/h4-6H,3H2,1-2H3.
What are the key properties of 4,6-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
4,6-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole has a molecular weight of 153.25 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is sourced from PubChem (CID 23572843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).