[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate

C20H17FN2O5S — CID 8010848

IUPAC[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1OC
InChIInChI=1S/C20H17FN2O5S/c1-26-16-8-5-13(9-17(16)27-2)19(25)28-10-18(24)23-20-22-15(11-29-20)12-3-6-14(21)7-4-12/h3-9,11H,10H2,1-2H3,(H,22,23,24)
InChIKeyOPPFXBCATUZKRG-UHFFFAOYSA-N
MW416.43 g/mol
LogP3.76
Rot. Bonds7

About [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate

[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate (PubChem CID 8010848) has the molecular formula C20H17FN2O5S and a molecular weight of 416.43 g/mol. Its IUPAC name is [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate.

Molecular Properties

Compound Name[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate
PubChem CID8010848
Molecular FormulaC20H17FN2O5S
Molecular Weight416.43 g/mol
Exact Mass416.08
IUPAC Name[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1OC
InChIInChI=1S/C20H17FN2O5S/c1-26-16-8-5-13(9-17(16)27-2)19(25)28-10-18(24)23-20-22-15(11-29-20)12-3-6-14(21)7-4-12/h3-9,11H,10H2,1-2H3,(H,22,23,24)
InChIKeyOPPFXBCATUZKRG-UHFFFAOYSA-N
XLogP3.76
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4,5-Trimethoxy-N-(2-methoxyethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 3173542
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 2090691
Ethyl 2-(3,4,5-trimethoxybenzamido)thiazole-4-carboxylate
CID 1359240
Ethyl 2-[(3,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 2327631
3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 2469116
3-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 5191473
[4-(2-Amino-4-thiazolyl)phenyl](3,4,5-trimethoxyphenyl)methanone
CID 46929639
4-methoxy-N-methyl-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 73670187
3,4,5-trimethoxy-N-methyl-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 73670190
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2109084
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 2124953
[2-Oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1,3-benzodioxole-5-carboxylate
CID 2342817

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate?
The IUPAC name of [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate (CID 8010848) is [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate.
What is the SMILES notation for [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate?
The canonical SMILES for [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate is COc1ccc(C(=O)OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1OC.
What is the InChIKey of [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate?
The InChIKey is OPPFXBCATUZKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O5S/c1-26-16-8-5-13(9-17(16)27-2)19(25)28-10-18(24)23-20-22-15(11-29-20)12-3-6-14(21)7-4-12/h3-9,11H,10H2,1-2H3,(H,22,23,24).
What are the key properties of [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate?
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate has a molecular weight of 416.43 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate is sourced from PubChem (CID 8010848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).