ethyl 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylate

C18H18FN3O2S2 — CID 166335978

IUPACethyl 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N(C)Cc2csc(-c3ccc(F)cc3)n2)nc1C
InChIInChI=1S/C18H18FN3O2S2/c1-4-24-17(23)15-11(2)20-18(26-15)22(3)9-14-10-25-16(21-14)12-5-7-13(19)8-6-12/h5-8,10H,4,9H2,1-3H3
InChIKeyYEEDORYMWGJQOC-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.53
Rot. Bonds6

About ethyl 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 166335978) has the molecular formula C18H18FN3O2S2 and a molecular weight of 391.49 g/mol. Its IUPAC name is ethyl 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID166335978
Molecular FormulaC18H18FN3O2S2
Molecular Weight391.49 g/mol
Exact Mass391.08
IUPAC Nameethyl 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N(C)Cc2csc(-c3ccc(F)cc3)n2)nc1C
InChIInChI=1S/C18H18FN3O2S2/c1-4-24-17(23)15-11(2)20-18(26-15)22(3)9-14-10-25-16(21-14)12-5-7-13(19)8-6-12/h5-8,10H,4,9H2,1-3H3
InChIKeyYEEDORYMWGJQOC-UHFFFAOYSA-N
XLogP4.53
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 16519685
ethyl 2-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 16557369
ethyl 2-[(4-fluorophenyl)methyl-(5-methylfuran-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55372621
ethyl 2-[[2-[(E)-but-2-enoyl]oxyacetyl]-[(4-fluorophenyl)methyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 9080687
ethyl 2-[(4-fluorophenyl)methyl-(3-methyl-1,2-oxazole-5-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55389451
1-[4-methyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone
CID 55113615
ethyl 4-amino-2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate;hydrochloride
CID 71610364
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8647550
ethyl 2-[(4-fluorophenyl)methyl-[4-(methoxymethyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55372577
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 5-methylthiophene-2-carboxylate
CID 7837999
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 55473158
methyl 2-[(3-fluorophenyl)methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80570354

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylate (CID 166335978) is ethyl 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N(C)Cc2csc(-c3ccc(F)cc3)n2)nc1C.
What is the InChIKey of ethyl 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is YEEDORYMWGJQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S2/c1-4-24-17(23)15-11(2)20-18(26-15)22(3)9-14-10-25-16(21-14)12-5-7-13(19)8-6-12/h5-8,10H,4,9H2,1-3H3.
What are the key properties of ethyl 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 391.49 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 166335978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).