ethyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(2-fluorophenyl)methoxy]benzoate

C19H17FN2O3S — CID 97036008

IUPACethyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(2-fluorophenyl)methoxy]benzoate
SMILESCCOC(=O)c1cc(-c2csc(N)n2)ccc1OCc1ccccc1F
InChIInChI=1S/C19H17FN2O3S/c1-2-24-18(23)14-9-12(16-11-26-19(21)22-16)7-8-17(14)25-10-13-5-3-4-6-15(13)20/h3-9,11H,2,10H2,1H3,(H2,21,22)
InChIKeyJZPCFNGEWWMOSC-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.29
Rot. Bonds6

About ethyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(2-fluorophenyl)methoxy]benzoate

ethyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(2-fluorophenyl)methoxy]benzoate (PubChem CID 97036008) has the molecular formula C19H17FN2O3S and a molecular weight of 372.42 g/mol. Its IUPAC name is ethyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(2-fluorophenyl)methoxy]benzoate.

Molecular Properties

Compound Nameethyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(2-fluorophenyl)methoxy]benzoate
PubChem CID97036008
Molecular FormulaC19H17FN2O3S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC Nameethyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(2-fluorophenyl)methoxy]benzoate
SMILESCCOC(=O)c1cc(-c2csc(N)n2)ccc1OCc1ccccc1F
InChIInChI=1S/C19H17FN2O3S/c1-2-24-18(23)14-9-12(16-11-26-19(21)22-16)7-8-17(14)25-10-13-5-3-4-6-15(13)20/h3-9,11H,2,10H2,1H3,(H2,21,22)
InChIKeyJZPCFNGEWWMOSC-UHFFFAOYSA-N
XLogP4.29
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(2-fluorophenyl)methoxy]benzoate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 5-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxylate
CID 169400090
methyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(3-chlorophenyl)methoxy]benzoate
CID 97035977
ethyl 4-amino-3-[(2-fluorophenyl)methoxy]benzoate
CID 82778634
2-[2-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20987679
2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid
CID 97035954
butyl 4-(2-amino-1,3-thiazol-4-yl)-2-methylbenzoate
CID 164568735
N-[(Z)-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-[2-(4-methylanilino)-1,3-thiazol-4-yl]benzamide
CID 126044357
ethyl N-[2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-4-phenyl-1,3-thiazol-5-yl]carbamate
CID 154811095
ethyl 4-[[4-(2-amino-1,3-thiazol-4-yl)phenoxy]methyl]benzoate
CID 28856582
2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
CID 154811104
5-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169403158
2-amino-4-[3-[(2,4-difluorophenoxy)methyl]-4-(sulfinatoamino)phenyl]-1,3-thiazole
CID 57315685

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(2-fluorophenyl)methoxy]benzoate?
The IUPAC name of ethyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(2-fluorophenyl)methoxy]benzoate (CID 97036008) is ethyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(2-fluorophenyl)methoxy]benzoate.
What is the SMILES notation for ethyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(2-fluorophenyl)methoxy]benzoate?
The canonical SMILES for ethyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(2-fluorophenyl)methoxy]benzoate is CCOC(=O)c1cc(-c2csc(N)n2)ccc1OCc1ccccc1F.
What is the InChIKey of ethyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(2-fluorophenyl)methoxy]benzoate?
The InChIKey is JZPCFNGEWWMOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S/c1-2-24-18(23)14-9-12(16-11-26-19(21)22-16)7-8-17(14)25-10-13-5-3-4-6-15(13)20/h3-9,11H,2,10H2,1H3,(H2,21,22).
What are the key properties of ethyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(2-fluorophenyl)methoxy]benzoate?
ethyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(2-fluorophenyl)methoxy]benzoate has a molecular weight of 372.42 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(2-fluorophenyl)methoxy]benzoate is sourced from PubChem (CID 97036008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).