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

C6H7NS — CID 580614

IUPAC5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESc1nc2c(s1)CCC2
InChIInChI=1S/C6H7NS/c1-2-5-6(3-1)8-4-7-5/h4H,1-3H2
InChIKeyQCCKBDNIBZPFCH-UHFFFAOYSA-N
MW125.20 g/mol
LogP1.63
Rot. Bonds

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

5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (PubChem CID 580614) has the molecular formula C6H7NS and a molecular weight of 125.20 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
PubChem CID580614
Molecular FormulaC6H7NS
Molecular Weight125.20 g/mol
Exact Mass125.03
IUPAC Name5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESc1nc2c(s1)CCC2
InChIInChI=1S/C6H7NS/c1-2-5-6(3-1)8-4-7-5/h4H,1-3H2
InChIKeyQCCKBDNIBZPFCH-UHFFFAOYSA-N
XLogP1.63
TPSA12.89 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 ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (CID 580614) is 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is c1nc2c(s1)CCC2.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The InChIKey is QCCKBDNIBZPFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS/c1-2-5-6(3-1)8-4-7-5/h4H,1-3H2.
What are the key properties of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
5,6-dihydro-4H-cyclopenta[d][1,3]thiazole has a molecular weight of 125.20 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is sourced from PubChem (CID 580614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).