8-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol

C25H27NO4S — CID 67296424

IUPAC8-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCOc1ccc(-c2nc(C3(O)CCC4(CC3)OCCO4)sc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C25H27NO4S/c1-17-3-5-19(6-4-17)22-21(18-7-9-20(28-2)10-8-18)26-23(31-22)24(27)11-13-25(14-12-24)29-15-16-30-25/h3-10,27H,11-16H2,1-2H3
InChIKeyAIWIDHROMQFSKI-UHFFFAOYSA-N
MW437.56 g/mol
LogP5.30
Rot. Bonds4

About 8-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol

8-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 67296424) has the molecular formula C25H27NO4S and a molecular weight of 437.56 g/mol. Its IUPAC name is 8-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID67296424
Molecular FormulaC25H27NO4S
Molecular Weight437.56 g/mol
Exact Mass437.17
IUPAC Name8-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCOc1ccc(-c2nc(C3(O)CCC4(CC3)OCCO4)sc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C25H27NO4S/c1-17-3-5-19(6-4-17)22-21(18-7-9-20(28-2)10-8-18)26-23(31-22)24(27)11-13-25(14-12-24)29-15-16-30-25/h3-10,27H,11-16H2,1-2H3
InChIKeyAIWIDHROMQFSKI-UHFFFAOYSA-N
XLogP5.30
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.56
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol (CID 67296424) is 8-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol is COc1ccc(-c2nc(C3(O)CCC4(CC3)OCCO4)sc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 8-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is AIWIDHROMQFSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4S/c1-17-3-5-19(6-4-17)22-21(18-7-9-20(28-2)10-8-18)26-23(31-22)24(27)11-13-25(14-12-24)29-15-16-30-25/h3-10,27H,11-16H2,1-2H3.
What are the key properties of 8-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol?
8-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 437.56 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-thiazol-2-yl]-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 67296424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).