ethyl 2-[2-[(3-fluorophenyl)methylamino]-1,3-thiazol-4-yl]acetate

C14H15FN2O2S — CID 80575641

IUPACethyl 2-[2-[(3-fluorophenyl)methylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NCc2cccc(F)c2)n1
InChIInChI=1S/C14H15FN2O2S/c1-2-19-13(18)7-12-9-20-14(17-12)16-8-10-4-3-5-11(15)6-10/h3-6,9H,2,7-8H2,1H3,(H,16,17)
InChIKeyDCVBCUHUQZXIPX-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.00
Rot. Bonds6

About ethyl 2-[2-[(3-fluorophenyl)methylamino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(3-fluorophenyl)methylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 80575641) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl 2-[2-[(3-fluorophenyl)methylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(3-fluorophenyl)methylamino]-1,3-thiazol-4-yl]acetate
PubChem CID80575641
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Nameethyl 2-[2-[(3-fluorophenyl)methylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NCc2cccc(F)c2)n1
InChIInChI=1S/C14H15FN2O2S/c1-2-19-13(18)7-12-9-20-14(17-12)16-8-10-4-3-5-11(15)6-10/h3-6,9H,2,7-8H2,1H3,(H,16,17)
InChIKeyDCVBCUHUQZXIPX-UHFFFAOYSA-N
XLogP3.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate
CID 1132760
ethyl 2-[2-[[3-(3-fluorophenyl)propylamino]methyl]-1,3-thiazol-4-yl]acetate
CID 70349133
ethyl 2-[2-[2-[[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623275
ethyl 3-[2-[(3-chlorophenyl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 103487308
ethyl 2-[2-(1H-pyrazol-4-ylmethylamino)-1,3-thiazol-4-yl]acetate
CID 80575988
ethyl 2-[2-[2-[[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623643
ethyl 2-[2-(2H-tetrazol-5-ylmethylamino)-1,3-thiazol-4-yl]acetate
CID 80575166
ethyl 2-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575326
ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate
CID 80575297
ethyl 2-[2-(2,3-difluoroanilino)-1,3-thiazol-4-yl]acetate
CID 80574749
ethyl 2-[2-[[2-(2-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 51185483
ethyl 2-[2-[[2-(3-ethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 2062144

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(3-fluorophenyl)methylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(3-fluorophenyl)methylamino]-1,3-thiazol-4-yl]acetate (CID 80575641) is ethyl 2-[2-[(3-fluorophenyl)methylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(3-fluorophenyl)methylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(3-fluorophenyl)methylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NCc2cccc(F)c2)n1.
What is the InChIKey of ethyl 2-[2-[(3-fluorophenyl)methylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is DCVBCUHUQZXIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-2-19-13(18)7-12-9-20-14(17-12)16-8-10-4-3-5-11(15)6-10/h3-6,9H,2,7-8H2,1H3,(H,16,17).
What are the key properties of ethyl 2-[2-[(3-fluorophenyl)methylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(3-fluorophenyl)methylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 294.35 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(3-fluorophenyl)methylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80575641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).