3',5-dimethylspiro[1,3-thiazolidine-2,4'-2,3-dihydrochromene]

C13H17NOS — CID 104524724

IUPAC3',5-dimethylspiro[1,3-thiazolidine-2,4'-2,3-dihydrochromene]
SMILESCC1CNC2(S1)c1ccccc1OCC2C
InChIInChI=1S/C13H17NOS/c1-9-8-15-12-6-4-3-5-11(12)13(9)14-7-10(2)16-13/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyFRKPWXIVRWHWCL-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.59
Rot. Bonds

About 3',5-dimethylspiro[1,3-thiazolidine-2,4'-2,3-dihydrochromene]

3',5-dimethylspiro[1,3-thiazolidine-2,4'-2,3-dihydrochromene] (PubChem CID 104524724) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 3',5-dimethylspiro[1,3-thiazolidine-2,4'-2,3-dihydrochromene].

Molecular Properties

Compound Name3',5-dimethylspiro[1,3-thiazolidine-2,4'-2,3-dihydrochromene]
PubChem CID104524724
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name3',5-dimethylspiro[1,3-thiazolidine-2,4'-2,3-dihydrochromene]
SMILESCC1CNC2(S1)c1ccccc1OCC2C
InChIInChI=1S/C13H17NOS/c1-9-8-15-12-6-4-3-5-11(12)13(9)14-7-10(2)16-13/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyFRKPWXIVRWHWCL-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3',5-dimethylspiro[1,3-thiazolidine-2,4'-2,3-dihydrochromene] with MolForge

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Related Compounds

4-hydroxy-3-methyl-2,3-dihydrochromene-4-carbonitrile
CID 104524636
4-amino-3-methyl-2,3-dihydrochromene-4-carbonitrile
CID 104524420
3,5',5'-trimethylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one
CID 104524935
4,4-dimethyl-1,3-benzodioxine
CID 45117132
[4-(1,4-diazepan-1-yl)-3-methyl-2,3-dihydrochromen-4-yl]methanol
CID 104524696
3-methyl-4-pyrrolidin-1-yl-2,3-dihydrochromene-4-carboxylic acid
CID 104524669
3-methylspiro[2,3-dihydrochromene-4,2'-3H-pyran]-4'-one
CID 104524767
2-[4-(1-aminoethyl)-3-methyl-2,3-dihydrochromen-4-yl]ethanol
CID 104524932
2-[4-(ethylamino)-3-methyl-2,3-dihydrochromen-4-yl]ethanol
CID 113422733
2',3'-dimethylspiro[2H-1-benzofuran-3,1'-cyclopropane]
CID 20801257
1'-cyclopentyl-3-methylspiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine
CID 104524957
3-methyl-4-(prop-2-ynylamino)-2,3-dihydrochromene-4-carbonitrile
CID 104524469

Frequently Asked Questions

What is the IUPAC name of 3',5-dimethylspiro[1,3-thiazolidine-2,4'-2,3-dihydrochromene]?
The IUPAC name of 3',5-dimethylspiro[1,3-thiazolidine-2,4'-2,3-dihydrochromene] (CID 104524724) is 3',5-dimethylspiro[1,3-thiazolidine-2,4'-2,3-dihydrochromene].
What is the SMILES notation for 3',5-dimethylspiro[1,3-thiazolidine-2,4'-2,3-dihydrochromene]?
The canonical SMILES for 3',5-dimethylspiro[1,3-thiazolidine-2,4'-2,3-dihydrochromene] is CC1CNC2(S1)c1ccccc1OCC2C.
What is the InChIKey of 3',5-dimethylspiro[1,3-thiazolidine-2,4'-2,3-dihydrochromene]?
The InChIKey is FRKPWXIVRWHWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-9-8-15-12-6-4-3-5-11(12)13(9)14-7-10(2)16-13/h3-6,9-10,14H,7-8H2,1-2H3.
What are the key properties of 3',5-dimethylspiro[1,3-thiazolidine-2,4'-2,3-dihydrochromene]?
3',5-dimethylspiro[1,3-thiazolidine-2,4'-2,3-dihydrochromene] has a molecular weight of 235.35 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3',5-dimethylspiro[1,3-thiazolidine-2,4'-2,3-dihydrochromene] is sourced from PubChem (CID 104524724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).