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

C7H9NS — CID 70660607

IUPAC4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESCC1CCc2scnc21
InChIInChI=1S/C7H9NS/c1-5-2-3-6-7(5)8-4-9-6/h4-5H,2-3H2,1H3
InChIKeyLNPCYJHQFDDPQY-UHFFFAOYSA-N
MW139.22 g/mol
LogP2.19
Rot. Bonds

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

4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (PubChem CID 70660607) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is 4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
PubChem CID70660607
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESCC1CCc2scnc21
InChIInChI=1S/C7H9NS/c1-5-2-3-6-7(5)8-4-9-6/h4-5H,2-3H2,1H3
InChIKeyLNPCYJHQFDDPQY-UHFFFAOYSA-N
XLogP2.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The IUPAC name of 4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (CID 70660607) is 4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.
What is the SMILES notation for 4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The canonical SMILES for 4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is CC1CCc2scnc21.
What is the InChIKey of 4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The InChIKey is LNPCYJHQFDDPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS/c1-5-2-3-6-7(5)8-4-9-6/h4-5H,2-3H2,1H3.
What are the key properties of 4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole has a molecular weight of 139.22 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is sourced from PubChem (CID 70660607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).