[3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methyl 2-aminoacetate;hydrochloride

C15H18ClFN2O2S — CID 161422246

IUPAC[3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methyl 2-aminoacetate;hydrochloride
SMILESCc1nc(CCc2ccc(COC(=O)CN)cc2F)cs1.Cl
InChIInChI=1S/C15H17FN2O2S.ClH/c1-10-18-13(9-21-10)5-4-12-3-2-11(6-14(12)16)8-20-15(19)7-17;/h2-3,6,9H,4-5,7-8,17H2,1H3;1H
InChIKeyHNJMFMCLIWRQDY-UHFFFAOYSA-N
MW344.84 g/mol
LogP2.80
Rot. Bonds6

About [3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methyl 2-aminoacetate;hydrochloride

[3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methyl 2-aminoacetate;hydrochloride (PubChem CID 161422246) has the molecular formula C15H18ClFN2O2S and a molecular weight of 344.84 g/mol. Its IUPAC name is [3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methyl 2-aminoacetate;hydrochloride.

Molecular Properties

Compound Name[3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methyl 2-aminoacetate;hydrochloride
PubChem CID161422246
Molecular FormulaC15H18ClFN2O2S
Molecular Weight344.84 g/mol
Exact Mass344.08
IUPAC Name[3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methyl 2-aminoacetate;hydrochloride
SMILESCc1nc(CCc2ccc(COC(=O)CN)cc2F)cs1.Cl
InChIInChI=1S/C15H17FN2O2S.ClH/c1-10-18-13(9-21-10)5-4-12-3-2-11(6-14(12)16)8-20-15(19)7-17;/h2-3,6,9H,4-5,7-8,17H2,1H3;1H
InChIKeyHNJMFMCLIWRQDY-UHFFFAOYSA-N
XLogP2.80
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzoic acid
CID 58112056
4-[2-[4-(azidomethyl)-2-fluorophenyl]ethyl]-2-methyl-1,3-thiazole;ethyl acetate;[3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine
CID 159881470
(4-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55328053
1-N-tert-butyl-1-N'-[[2-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methoxy]ethene-1,1-diamine
CID 143840659
(3-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55327909
[3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 107686349
[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine
CID 58112094
(3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate
CID 94256668
1-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114979454
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 78882590
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106045046
4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methyl 2-aminoacetate;hydrochloride?
The IUPAC name of [3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methyl 2-aminoacetate;hydrochloride (CID 161422246) is [3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methyl 2-aminoacetate;hydrochloride.
What is the SMILES notation for [3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methyl 2-aminoacetate;hydrochloride?
The canonical SMILES for [3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methyl 2-aminoacetate;hydrochloride is Cc1nc(CCc2ccc(COC(=O)CN)cc2F)cs1.Cl.
What is the InChIKey of [3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methyl 2-aminoacetate;hydrochloride?
The InChIKey is HNJMFMCLIWRQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S.ClH/c1-10-18-13(9-21-10)5-4-12-3-2-11(6-14(12)16)8-20-15(19)7-17;/h2-3,6,9H,4-5,7-8,17H2,1H3;1H.
What are the key properties of [3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methyl 2-aminoacetate;hydrochloride?
[3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methyl 2-aminoacetate;hydrochloride has a molecular weight of 344.84 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methyl 2-aminoacetate;hydrochloride is sourced from PubChem (CID 161422246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).