methyl 2-amino-4-(oxolan-2-yl)-1,3-thiazole-5-carboxylate

C9H12N2O3S — CID 131457544

IUPACmethyl 2-amino-4-(oxolan-2-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N)nc1C1CCCO1
InChIInChI=1S/C9H12N2O3S/c1-13-8(12)7-6(11-9(10)15-7)5-3-2-4-14-5/h5H,2-4H2,1H3,(H2,10,11)
InChIKeyDORZLOFGROLDBM-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.36
Rot. Bonds2

About methyl 2-amino-4-(oxolan-2-yl)-1,3-thiazole-5-carboxylate

methyl 2-amino-4-(oxolan-2-yl)-1,3-thiazole-5-carboxylate (PubChem CID 131457544) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is methyl 2-amino-4-(oxolan-2-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-(oxolan-2-yl)-1,3-thiazole-5-carboxylate
PubChem CID131457544
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Namemethyl 2-amino-4-(oxolan-2-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N)nc1C1CCCO1
InChIInChI=1S/C9H12N2O3S/c1-13-8(12)7-6(11-9(10)15-7)5-3-2-4-14-5/h5H,2-4H2,1H3,(H2,10,11)
InChIKeyDORZLOFGROLDBM-UHFFFAOYSA-N
XLogP1.36
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(oxolan-2-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-amino-4-(oxolan-2-yl)-1,3-thiazole-5-carboxylate (CID 131457544) is methyl 2-amino-4-(oxolan-2-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-amino-4-(oxolan-2-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-amino-4-(oxolan-2-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N)nc1C1CCCO1.
What is the InChIKey of methyl 2-amino-4-(oxolan-2-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is DORZLOFGROLDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-13-8(12)7-6(11-9(10)15-7)5-3-2-4-14-5/h5H,2-4H2,1H3,(H2,10,11).
What are the key properties of methyl 2-amino-4-(oxolan-2-yl)-1,3-thiazole-5-carboxylate?
methyl 2-amino-4-(oxolan-2-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 228.27 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(oxolan-2-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 131457544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).