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

C10H19NS — CID 91540765

IUPAC5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;ethane
SMILESCC.CC.c1nc2c(s1)CCC2
InChIInChI=1S/C6H7NS.2C2H6/c1-2-5-6(3-1)8-4-7-5;2*1-2/h4H,1-3H2;2*1-2H3
InChIKeyMLPIPAZDOXWPGJ-UHFFFAOYSA-N
MW185.34 g/mol
LogP3.68
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 91540765) has the molecular formula C10H19NS and a molecular weight of 185.34 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 CID91540765
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;ethane
SMILESCC.CC.c1nc2c(s1)CCC2
InChIInChI=1S/C6H7NS.2C2H6/c1-2-5-6(3-1)8-4-7-5;2*1-2/h4H,1-3H2;2*1-2H3
InChIKeyMLPIPAZDOXWPGJ-UHFFFAOYSA-N
XLogP3.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 21529489
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CID 19871463
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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 91540765) 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.CC.c1nc2c(s1)CCC2.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;ethane?
The InChIKey is MLPIPAZDOXWPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS.2C2H6/c1-2-5-6(3-1)8-4-7-5;2*1-2/h4H,1-3H2;2*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 185.34 g/mol, XLogP of 3.68, 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 91540765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).