3aH-cyclopenta[d][1,3]thiazole

C6H5NS — CID 68703559

IUPAC3aH-cyclopenta[d][1,3]thiazole
SMILESC1=CC2N=CSC2=C1
InChIInChI=1S/C6H5NS/c1-2-5-6(3-1)8-4-7-5/h1-5H
InChIKeyVBODFQJDIBUOTQ-UHFFFAOYSA-N
MW123.18 g/mol
LogP1.58
Rot. Bonds

About 3aH-cyclopenta[d][1,3]thiazole

3aH-cyclopenta[d][1,3]thiazole (PubChem CID 68703559) has the molecular formula C6H5NS and a molecular weight of 123.18 g/mol. Its IUPAC name is 3aH-cyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name3aH-cyclopenta[d][1,3]thiazole
PubChem CID68703559
Molecular FormulaC6H5NS
Molecular Weight123.18 g/mol
Exact Mass123.01
IUPAC Name3aH-cyclopenta[d][1,3]thiazole
SMILESC1=CC2N=CSC2=C1
InChIInChI=1S/C6H5NS/c1-2-5-6(3-1)8-4-7-5/h1-5H
InChIKeyVBODFQJDIBUOTQ-UHFFFAOYSA-N
XLogP1.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3aH-cyclopenta[d][1,3]thiazole?
The IUPAC name of 3aH-cyclopenta[d][1,3]thiazole (CID 68703559) is 3aH-cyclopenta[d][1,3]thiazole.
What is the SMILES notation for 3aH-cyclopenta[d][1,3]thiazole?
The canonical SMILES for 3aH-cyclopenta[d][1,3]thiazole is C1=CC2N=CSC2=C1.
What is the InChIKey of 3aH-cyclopenta[d][1,3]thiazole?
The InChIKey is VBODFQJDIBUOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NS/c1-2-5-6(3-1)8-4-7-5/h1-5H.
What are the key properties of 3aH-cyclopenta[d][1,3]thiazole?
3aH-cyclopenta[d][1,3]thiazole has a molecular weight of 123.18 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3aH-cyclopenta[d][1,3]thiazole is sourced from PubChem (CID 68703559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).