[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate

C24H24FN3O6S2 — CID 2340997

IUPAC[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
SMILESCOc1ccc(-c2csc(NC(=O)COC(=O)c3ccc(F)c(S(=O)(=O)N4CCCCC4)c3)n2)cc1
InChIInChI=1S/C24H24FN3O6S2/c1-33-18-8-5-16(6-9-18)20-15-35-24(26-20)27-22(29)14-34-23(30)17-7-10-19(25)21(13-17)36(31,32)28-11-3-2-4-12-28/h5-10,13,15H,2-4,11-12,14H2,1H3,(H,26,27,29)
InChIKeyRTANKDUGTRUQJS-UHFFFAOYSA-N
MW533.60 g/mol
LogP3.93
Rot. Bonds8

About [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate

[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate (PubChem CID 2340997) has the molecular formula C24H24FN3O6S2 and a molecular weight of 533.60 g/mol. Its IUPAC name is [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
PubChem CID2340997
Molecular FormulaC24H24FN3O6S2
Molecular Weight533.60 g/mol
Exact Mass533.11
IUPAC Name[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
SMILESCOc1ccc(-c2csc(NC(=O)COC(=O)c3ccc(F)c(S(=O)(=O)N4CCCCC4)c3)n2)cc1
InChIInChI=1S/C24H24FN3O6S2/c1-33-18-8-5-16(6-9-18)20-15-35-24(26-20)27-22(29)14-34-23(30)17-7-10-19(25)21(13-17)36(31,32)28-11-3-2-4-12-28/h5-10,13,15H,2-4,11-12,14H2,1H3,(H,26,27,29)
InChIKeyRTANKDUGTRUQJS-UHFFFAOYSA-N
XLogP3.93
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.60
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate 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 [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate (CID 2340997) is [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate is COc1ccc(-c2csc(NC(=O)COC(=O)c3ccc(F)c(S(=O)(=O)N4CCCCC4)c3)n2)cc1.
What is the InChIKey of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate?
The InChIKey is RTANKDUGTRUQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O6S2/c1-33-18-8-5-16(6-9-18)20-15-35-24(26-20)27-22(29)14-34-23(30)17-7-10-19(25)21(13-17)36(31,32)28-11-3-2-4-12-28/h5-10,13,15H,2-4,11-12,14H2,1H3,(H,26,27,29).
What are the key properties of [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate?
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate has a molecular weight of 533.60 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 2340997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).