methyl 5-amino-1,2-thiazole-3-carboxylate

C5H6N2O2S — CID 53302115

IUPACmethyl 5-amino-1,2-thiazole-3-carboxylate
SMILESCOC(=O)c1cc(N)sn1
InChIInChI=1S/C5H6N2O2S/c1-9-5(8)3-2-4(6)10-7-3/h2H,6H2,1H3
InChIKeyYRGYIZCDBMJMGM-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.51
Rot. Bonds1

About methyl 5-amino-1,2-thiazole-3-carboxylate

methyl 5-amino-1,2-thiazole-3-carboxylate (PubChem CID 53302115) has the molecular formula C5H6N2O2S and a molecular weight of 158.18 g/mol. Its IUPAC name is methyl 5-amino-1,2-thiazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1,2-thiazole-3-carboxylate
PubChem CID53302115
Molecular FormulaC5H6N2O2S
Molecular Weight158.18 g/mol
Exact Mass158.01
IUPAC Namemethyl 5-amino-1,2-thiazole-3-carboxylate
SMILESCOC(=O)c1cc(N)sn1
InChIInChI=1S/C5H6N2O2S/c1-9-5(8)3-2-4(6)10-7-3/h2H,6H2,1H3
InChIKeyYRGYIZCDBMJMGM-UHFFFAOYSA-N
XLogP0.51
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1,2-thiazole-3-carboxylate?
The IUPAC name of methyl 5-amino-1,2-thiazole-3-carboxylate (CID 53302115) is methyl 5-amino-1,2-thiazole-3-carboxylate.
What is the SMILES notation for methyl 5-amino-1,2-thiazole-3-carboxylate?
The canonical SMILES for methyl 5-amino-1,2-thiazole-3-carboxylate is COC(=O)c1cc(N)sn1.
What is the InChIKey of methyl 5-amino-1,2-thiazole-3-carboxylate?
The InChIKey is YRGYIZCDBMJMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S/c1-9-5(8)3-2-4(6)10-7-3/h2H,6H2,1H3.
What are the key properties of methyl 5-amino-1,2-thiazole-3-carboxylate?
methyl 5-amino-1,2-thiazole-3-carboxylate has a molecular weight of 158.18 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1,2-thiazole-3-carboxylate is sourced from PubChem (CID 53302115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).