ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropanoate

C15H18N2O4S — CID 171867072

IUPACethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropanoate
SMILESCCOC(=O)C(O)C(O)c1ccc(-c2nc(N)sc2C)cc1
InChIInChI=1S/C15H18N2O4S/c1-3-21-14(20)13(19)12(18)10-6-4-9(5-7-10)11-8(2)22-15(16)17-11/h4-7,12-13,18-19H,3H2,1-2H3,(H2,16,17)
InChIKeyUMANAFBYEUGFRM-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.66
Rot. Bonds5

About ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropanoate

ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropanoate (PubChem CID 171867072) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropanoate.

Molecular Properties

Compound Nameethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropanoate
PubChem CID171867072
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Nameethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropanoate
SMILESCCOC(=O)C(O)C(O)c1ccc(-c2nc(N)sc2C)cc1
InChIInChI=1S/C15H18N2O4S/c1-3-21-14(20)13(19)12(18)10-6-4-9(5-7-10)11-8(2)22-15(16)17-11/h4-7,12-13,18-19H,3H2,1-2H3,(H2,16,17)
InChIKeyUMANAFBYEUGFRM-UHFFFAOYSA-N
XLogP1.66
TPSA105.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-3,4-dihydroxybutanamide
CID 171900148
ethyl 3-(2-amino-1,3-benzothiazol-5-yl)-2,3-dihydroxypropanoate
CID 171866300
ethyl 3-(2-amino-1,3-benzothiazol-6-yl)-2,3-dihydroxypropanoate
CID 171866301
ethyl 3-(4-aminophenyl)-2,3-dihydroxypropanoate
CID 171865608
ethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate
CID 171865553
ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]propanoate
CID 28857021
ethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate
CID 102298817
ethyl 2,3-dihydroxy-3-(4-pyridin-2-ylphenyl)propanoate
CID 171866921
4-(3,4-diethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 43141109
ethyl 3-(2-chloropyrimidin-5-yl)-2,3-dihydroxypropanoate
CID 118141576
ethyl (2S,3R)-2,3-dihydroxy-3-(4-nitrophenyl)propanoate
CID 11149499
ethyl 2,3-dihydroxy-3-[4-(methylcarbamoyl)phenyl]propanoate
CID 171866592

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropanoate?
The IUPAC name of ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropanoate (CID 171867072) is ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropanoate.
What is the SMILES notation for ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropanoate?
The canonical SMILES for ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropanoate is CCOC(=O)C(O)C(O)c1ccc(-c2nc(N)sc2C)cc1.
What is the InChIKey of ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropanoate?
The InChIKey is UMANAFBYEUGFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-3-21-14(20)13(19)12(18)10-6-4-9(5-7-10)11-8(2)22-15(16)17-11/h4-7,12-13,18-19H,3H2,1-2H3,(H2,16,17).
What are the key properties of ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropanoate?
ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropanoate has a molecular weight of 322.39 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropanoate is sourced from PubChem (CID 171867072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).