ethyl 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]acetate

C11H11FN2O2S — CID 60810692

IUPACethyl 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nc2cc(F)ccc2s1
InChIInChI=1S/C11H11FN2O2S/c1-2-16-10(15)6-13-11-14-8-5-7(12)3-4-9(8)17-11/h3-5H,2,6H2,1H3,(H,13,14)
InChIKeyNOHNUEYVDAJQNB-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.41
Rot. Bonds4

About ethyl 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]acetate

ethyl 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]acetate (PubChem CID 60810692) has the molecular formula C11H11FN2O2S and a molecular weight of 254.29 g/mol. Its IUPAC name is ethyl 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]acetate
PubChem CID60810692
Molecular FormulaC11H11FN2O2S
Molecular Weight254.29 g/mol
Exact Mass254.05
IUPAC Nameethyl 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nc2cc(F)ccc2s1
InChIInChI=1S/C11H11FN2O2S/c1-2-16-10(15)6-13-11-14-8-5-7(12)3-4-9(8)17-11/h3-5H,2,6H2,1H3,(H,13,14)
InChIKeyNOHNUEYVDAJQNB-UHFFFAOYSA-N
XLogP2.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide
CID 43311082
ethyl 4-[(5-methyl-1,3-benzothiazol-2-yl)amino]butanoate
CID 60648615
methyl 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]acetate
CID 43135001
ethyl 2-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-1,3-benzothiazole-6-carboxylate
CID 110825430
5-fluoro-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 62057975
ethyl 2-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylacetate
CID 42982352
2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide
CID 61478157
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylacetamide
CID 79144613
5-fluoro-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine
CID 106294883
ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate
CID 790147
2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-(4-fluorophenyl)ethanone
CID 110825428
N-(2,3-dimethoxypropyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 114101101

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]acetate (CID 60810692) is ethyl 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]acetate is CCOC(=O)CNc1nc2cc(F)ccc2s1.
What is the InChIKey of ethyl 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]acetate?
The InChIKey is NOHNUEYVDAJQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2S/c1-2-16-10(15)6-13-11-14-8-5-7(12)3-4-9(8)17-11/h3-5H,2,6H2,1H3,(H,13,14).
What are the key properties of ethyl 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]acetate?
ethyl 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]acetate has a molecular weight of 254.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]acetate is sourced from PubChem (CID 60810692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).