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

C8H13NS — CID 123252978

IUPAC5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;ethane
SMILESCC.c1nc2c(s1)CCC2
InChIInChI=1S/C6H7NS.C2H6/c1-2-5-6(3-1)8-4-7-5;1-2/h4H,1-3H2;1-2H3
InChIKeyBPMVBYIGLVBMSP-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.66
Rot. Bonds

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

5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;ethane (PubChem CID 123252978) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;ethane.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;ethane
PubChem CID123252978
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;ethane
SMILESCC.c1nc2c(s1)CCC2
InChIInChI=1S/C6H7NS.C2H6/c1-2-5-6(3-1)8-4-7-5;1-2/h4H,1-3H2;1-2H3
InChIKeyBPMVBYIGLVBMSP-UHFFFAOYSA-N
XLogP2.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.66
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;ethane?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;ethane (CID 123252978) is 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;ethane.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;ethane?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;ethane is CC.c1nc2c(s1)CCC2.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;ethane?
The InChIKey is BPMVBYIGLVBMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS.C2H6/c1-2-5-6(3-1)8-4-7-5;1-2/h4H,1-3H2;1-2H3.
What are the key properties of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;ethane?
5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;ethane has a molecular weight of 155.27 g/mol, XLogP of 2.66, 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;ethane is sourced from PubChem (CID 123252978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).