1'-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one

C25H23FN2O3S — CID 108810443

IUPAC1'-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3sc(-c4ccc(F)cc4)nc3C)CC1)O2
InChIInChI=1S/C25H23FN2O3S/c1-15-3-8-21-19(13-15)20(29)14-25(31-21)9-11-28(12-10-25)24(30)22-16(2)27-23(32-22)17-4-6-18(26)7-5-17/h3-8,13H,9-12,14H2,1-2H3
InChIKeyFTGVKKQUVWTDQC-UHFFFAOYSA-N
MW450.54 g/mol
LogP5.21
Rot. Bonds2

About 1'-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one

1'-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108810443) has the molecular formula C25H23FN2O3S and a molecular weight of 450.54 g/mol. Its IUPAC name is 1'-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108810443
Molecular FormulaC25H23FN2O3S
Molecular Weight450.54 g/mol
Exact Mass450.14
IUPAC Name1'-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3sc(-c4ccc(F)cc4)nc3C)CC1)O2
InChIInChI=1S/C25H23FN2O3S/c1-15-3-8-21-19(13-15)20(29)14-25(31-21)9-11-28(12-10-25)24(30)22-16(2)27-23(32-22)17-4-6-18(26)7-5-17/h3-8,13H,9-12,14H2,1-2H3
InChIKeyFTGVKKQUVWTDQC-UHFFFAOYSA-N
XLogP5.21
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1'-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one 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 1'-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 108810443) is 1'-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one is Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3sc(-c4ccc(F)cc4)nc3C)CC1)O2.
What is the InChIKey of 1'-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is FTGVKKQUVWTDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O3S/c1-15-3-8-21-19(13-15)20(29)14-25(31-21)9-11-28(12-10-25)24(30)22-16(2)27-23(32-22)17-4-6-18(26)7-5-17/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 1'-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 450.54 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108810443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).