methyl (2S)-2-(2-fluorophenyl)-2-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate

C19H17FN2O4S — CID 96539571

IUPACmethyl (2S)-2-(2-fluorophenyl)-2-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate
SMILESCOC(=O)[C@@H](NC(=O)Cc1csc(-c2ccc(C)o2)n1)c1ccccc1F
InChIInChI=1S/C19H17FN2O4S/c1-11-7-8-15(26-11)18-21-12(10-27-18)9-16(23)22-17(19(24)25-2)13-5-3-4-6-14(13)20/h3-8,10,17H,9H2,1-2H3,(H,22,23)/t17-/m0/s1
InChIKeyDVPLLNHTBAXSLJ-KRWDZBQOSA-N
MW388.42 g/mol
LogP3.42
Rot. Bonds6

About methyl (2S)-2-(2-fluorophenyl)-2-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate

methyl (2S)-2-(2-fluorophenyl)-2-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate (PubChem CID 96539571) has the molecular formula C19H17FN2O4S and a molecular weight of 388.42 g/mol. Its IUPAC name is methyl (2S)-2-(2-fluorophenyl)-2-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl (2S)-2-(2-fluorophenyl)-2-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate
PubChem CID96539571
Molecular FormulaC19H17FN2O4S
Molecular Weight388.42 g/mol
Exact Mass388.09
IUPAC Namemethyl (2S)-2-(2-fluorophenyl)-2-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate
SMILESCOC(=O)[C@@H](NC(=O)Cc1csc(-c2ccc(C)o2)n1)c1ccccc1F
InChIInChI=1S/C19H17FN2O4S/c1-11-7-8-15(26-11)18-21-12(10-27-18)9-16(23)22-17(19(24)25-2)13-5-3-4-6-14(13)20/h3-8,10,17H,9H2,1-2H3,(H,22,23)/t17-/m0/s1
InChIKeyDVPLLNHTBAXSLJ-KRWDZBQOSA-N
XLogP3.42
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (2S)-2-(2-fluorophenyl)-2-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate with MolForge

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Related Compounds

methyl 2-(2-fluorophenyl)-2-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 71854721
N-[1-(2,4-difluorophenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55606293
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46417790
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 119607540
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374
methyl 4-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 46422675
N-(4-bromo-2-fluorophenyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 39089077
N-[2-(methylamino)propyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 120831629
N-(2-amino-2-ethylbutyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 119642126
N-[(2R)-2-(ethylamino)propyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 120652026
2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-fluorophenyl)ethyl]acetamide
CID 62798369
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 55607967

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(2-fluorophenyl)-2-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate?
The IUPAC name of methyl (2S)-2-(2-fluorophenyl)-2-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate (CID 96539571) is methyl (2S)-2-(2-fluorophenyl)-2-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate.
What is the SMILES notation for methyl (2S)-2-(2-fluorophenyl)-2-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate?
The canonical SMILES for methyl (2S)-2-(2-fluorophenyl)-2-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate is COC(=O)[C@@H](NC(=O)Cc1csc(-c2ccc(C)o2)n1)c1ccccc1F.
What is the InChIKey of methyl (2S)-2-(2-fluorophenyl)-2-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate?
The InChIKey is DVPLLNHTBAXSLJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H17FN2O4S/c1-11-7-8-15(26-11)18-21-12(10-27-18)9-16(23)22-17(19(24)25-2)13-5-3-4-6-14(13)20/h3-8,10,17H,9H2,1-2H3,(H,22,23)/t17-/m0/s1.
What are the key properties of methyl (2S)-2-(2-fluorophenyl)-2-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate?
methyl (2S)-2-(2-fluorophenyl)-2-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate has a molecular weight of 388.42 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(2-fluorophenyl)-2-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate is sourced from PubChem (CID 96539571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).