methyl 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylate

C9H13N3O3S — CID 2764112

IUPACmethyl 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N2CCOCC2)nc1N
InChIInChI=1S/C9H13N3O3S/c1-14-8(13)6-7(10)11-9(16-6)12-2-4-15-5-3-12/h2-5,10H2,1H3
InChIKeyXRMLHYZIBUGVNR-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.35
Rot. Bonds2

About methyl 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylate

methyl 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylate (PubChem CID 2764112) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is methyl 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylate
PubChem CID2764112
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Namemethyl 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N2CCOCC2)nc1N
InChIInChI=1S/C9H13N3O3S/c1-14-8(13)6-7(10)11-9(16-6)12-2-4-15-5-3-12/h2-5,10H2,1H3
InChIKeyXRMLHYZIBUGVNR-UHFFFAOYSA-N
XLogP0.35
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylate (CID 2764112) is methyl 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N2CCOCC2)nc1N.
What is the InChIKey of methyl 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylate?
The InChIKey is XRMLHYZIBUGVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-14-8(13)6-7(10)11-9(16-6)12-2-4-15-5-3-12/h2-5,10H2,1H3.
What are the key properties of methyl 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylate?
methyl 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylate has a molecular weight of 243.29 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2764112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).