ethyl 2-[[3-(2,6-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate

C26H28F2N2O5S — CID 70348112

IUPACethyl 2-[[3-(2,6-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(CN(CCCc2c(F)cccc2F)C(=O)c2cc(OC)c(C)c(OC)c2)n1
InChIInChI=1S/C26H28F2N2O5S/c1-5-35-26(32)21-15-36-24(29-21)14-30(11-7-8-18-19(27)9-6-10-20(18)28)25(31)17-12-22(33-3)16(2)23(13-17)34-4/h6,9-10,12-13,15H,5,7-8,11,14H2,1-4H3
InChIKeyFANRAGYSMYOAPZ-UHFFFAOYSA-N
MW518.58 g/mol
LogP5.20
Rot. Bonds11

About ethyl 2-[[3-(2,6-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate

ethyl 2-[[3-(2,6-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate (PubChem CID 70348112) has the molecular formula C26H28F2N2O5S and a molecular weight of 518.58 g/mol. Its IUPAC name is ethyl 2-[[3-(2,6-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[3-(2,6-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate
PubChem CID70348112
Molecular FormulaC26H28F2N2O5S
Molecular Weight518.58 g/mol
Exact Mass518.17
IUPAC Nameethyl 2-[[3-(2,6-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(CN(CCCc2c(F)cccc2F)C(=O)c2cc(OC)c(C)c(OC)c2)n1
InChIInChI=1S/C26H28F2N2O5S/c1-5-35-26(32)21-15-36-24(29-21)14-30(11-7-8-18-19(27)9-6-10-20(18)28)25(31)17-12-22(33-3)16(2)23(13-17)34-4/h6,9-10,12-13,15H,5,7-8,11,14H2,1-4H3
InChIKeyFANRAGYSMYOAPZ-UHFFFAOYSA-N
XLogP5.20
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.58
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[3-(2,6-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

ethyl 2-[[(3,5-dimethoxy-4-prop-1-en-2-ylbenzoyl)-(3-phenylpropyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 70348260
2-[[3-(2,4-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide
CID 70349391
ethyl 2-[[(3-bromobenzoyl)-pentylamino]methyl]-1,3-thiazole-4-carboxylate
CID 4539285
3,5-dimethoxy-4-methyl-N-[[4-[2-(2-methylpropylsulfonyl)acetyl]-1,3-thiazol-2-yl]methyl]-N-(3-phenylpropyl)benzamide
CID 147321126
2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-N-(2-hydroxyethylsulfonyl)-1,3-thiazole-4-carboxamide
CID 70349248
2-[2-[2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-1,3-thiazol-4-yl]-2-oxoethyl]sulfonylethyl acetate
CID 147380723
ethyl 2-[[(4-bromobenzoyl)-pentylamino]methyl]-1,3-thiazole-4-carboxylate
CID 3300483
ethyl 2-[[naphthalene-2-carbonyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 7350511
prop-2-enyl N-[[2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-1,3-thiazole-4-carbonyl]sulfamoyl]carbamate
CID 140587736
ethyl 2-[[(3,4-dichlorobenzoyl)-(3-ethoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 4576164
ethyl 2-[[(2-methoxyphenyl)carbamoyl-pentylamino]methyl]-1,3-thiazole-4-carboxylate
CID 4001186
sodium [2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-1,3-thiazol-4-yl]methanesulfonate
CID 51352950

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(2,6-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[3-(2,6-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate (CID 70348112) is ethyl 2-[[3-(2,6-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[3-(2,6-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[3-(2,6-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(CN(CCCc2c(F)cccc2F)C(=O)c2cc(OC)c(C)c(OC)c2)n1.
What is the InChIKey of ethyl 2-[[3-(2,6-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The InChIKey is FANRAGYSMYOAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N2O5S/c1-5-35-26(32)21-15-36-24(29-21)14-30(11-7-8-18-19(27)9-6-10-20(18)28)25(31)17-12-22(33-3)16(2)23(13-17)34-4/h6,9-10,12-13,15H,5,7-8,11,14H2,1-4H3.
What are the key properties of ethyl 2-[[3-(2,6-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate?
ethyl 2-[[3-(2,6-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate has a molecular weight of 518.58 g/mol, XLogP of 5.20, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(2,6-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 70348112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).