spiro[1,3-thiazolidine-2,3'-2,4-dihydro-1H-naphthalene]

C12H15NS — CID 50853147

IUPACspiro[1,3-thiazolidine-2,3'-2,4-dihydro-1H-naphthalene]
SMILESc1ccc2c(c1)CCC1(C2)NCCS1
InChIInChI=1S/C12H15NS/c1-2-4-11-9-12(13-7-8-14-12)6-5-10(11)3-1/h1-4,13H,5-9H2
InChIKeyVIZRDYJMUOJXHE-UHFFFAOYSA-N
MW205.33 g/mol
LogP2.21
Rot. Bonds

About spiro[1,3-thiazolidine-2,3'-2,4-dihydro-1H-naphthalene]

spiro[1,3-thiazolidine-2,3'-2,4-dihydro-1H-naphthalene] (PubChem CID 50853147) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is spiro[1,3-thiazolidine-2,3'-2,4-dihydro-1H-naphthalene].

Molecular Properties

Compound Namespiro[1,3-thiazolidine-2,3'-2,4-dihydro-1H-naphthalene]
PubChem CID50853147
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Namespiro[1,3-thiazolidine-2,3'-2,4-dihydro-1H-naphthalene]
SMILESc1ccc2c(c1)CCC1(C2)NCCS1
InChIInChI=1S/C12H15NS/c1-2-4-11-9-12(13-7-8-14-12)6-5-10(11)3-1/h1-4,13H,5-9H2
InChIKeyVIZRDYJMUOJXHE-UHFFFAOYSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-thiazolidine-2,3'-2,4-dihydro-1H-naphthalene]?
The IUPAC name of spiro[1,3-thiazolidine-2,3'-2,4-dihydro-1H-naphthalene] (CID 50853147) is spiro[1,3-thiazolidine-2,3'-2,4-dihydro-1H-naphthalene].
What is the SMILES notation for spiro[1,3-thiazolidine-2,3'-2,4-dihydro-1H-naphthalene]?
The canonical SMILES for spiro[1,3-thiazolidine-2,3'-2,4-dihydro-1H-naphthalene] is c1ccc2c(c1)CCC1(C2)NCCS1.
What is the InChIKey of spiro[1,3-thiazolidine-2,3'-2,4-dihydro-1H-naphthalene]?
The InChIKey is VIZRDYJMUOJXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-2-4-11-9-12(13-7-8-14-12)6-5-10(11)3-1/h1-4,13H,5-9H2.
What are the key properties of spiro[1,3-thiazolidine-2,3'-2,4-dihydro-1H-naphthalene]?
spiro[1,3-thiazolidine-2,3'-2,4-dihydro-1H-naphthalene] has a molecular weight of 205.33 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-thiazolidine-2,3'-2,4-dihydro-1H-naphthalene] is sourced from PubChem (CID 50853147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).