ethyl 2-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoate

C13H20N2O5S — CID 178130924

IUPACethyl 2-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoate
SMILESCCOC(=O)C(C)(O)c1cnc(NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C13H20N2O5S/c1-6-19-9(16)13(5,18)8-7-14-10(21-8)15-11(17)20-12(2,3)4/h7,18H,6H2,1-5H3,(H,14,15,17)
InChIKeyGTHGXZNDQBPCEA-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.26
Rot. Bonds4

About ethyl 2-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoate

ethyl 2-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoate (PubChem CID 178130924) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoate
PubChem CID178130924
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Nameethyl 2-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoate
SMILESCCOC(=O)C(C)(O)c1cnc(NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C13H20N2O5S/c1-6-19-9(16)13(5,18)8-7-14-10(21-8)15-11(17)20-12(2,3)4/h7,18H,6H2,1-5H3,(H,14,15,17)
InChIKeyGTHGXZNDQBPCEA-UHFFFAOYSA-N
XLogP2.26
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]-2-oxoacetate
CID 53419366
3-ethoxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]-3-oxopropanoic acid
CID 86760124
ethyl 3,4-dihydroxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]butanoate
CID 171898336
tert-butyl N-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]carbamate
CID 118106608
tert-butyl N-(5-carbonochloridoyl-1,3-thiazol-2-yl)carbamate
CID 45117870
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]acetate
CID 22349665
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]propanedioic acid
CID 22036048
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-[1,3]thiazolo[4,5-c]pyridine-6-carboxylate
CID 170948135
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 170948312
[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]carbamic acid
CID 151016388
tert-butyl N-[5-(2-aminoethyl)-1,3-thiazol-2-yl]carbamate;tert-butyl N-(5-propyl-1,3-thiazol-2-yl)carbamate;5-propyl-1,3-thiazol-2-amine;hydrobromide
CID 157072375
tert-butyl N-[5-(3-bromo-1,2-dihydroxypropyl)-1,3-thiazol-2-yl]carbamate
CID 171860936

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoate?
The IUPAC name of ethyl 2-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoate (CID 178130924) is ethyl 2-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoate.
What is the SMILES notation for ethyl 2-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoate?
The canonical SMILES for ethyl 2-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoate is CCOC(=O)C(C)(O)c1cnc(NC(=O)OC(C)(C)C)s1.
What is the InChIKey of ethyl 2-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoate?
The InChIKey is GTHGXZNDQBPCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-6-19-9(16)13(5,18)8-7-14-10(21-8)15-11(17)20-12(2,3)4/h7,18H,6H2,1-5H3,(H,14,15,17).
What are the key properties of ethyl 2-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoate?
ethyl 2-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoate has a molecular weight of 316.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoate is sourced from PubChem (CID 178130924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).