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

C6H8N2O2S — CID 713653

IUPACmethyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N)nc1C
InChIInChI=1S/C6H8N2O2S/c1-3-4(5(9)10-2)11-6(7)8-3/h1-2H3,(H2,7,8)
InChIKeyTYUGYIMCRDPMPJ-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.82
Rot. Bonds1

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

methyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 713653) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is methyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID713653
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Namemethyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N)nc1C
InChIInChI=1S/C6H8N2O2S/c1-3-4(5(9)10-2)11-6(7)8-3/h1-2H3,(H2,7,8)
InChIKeyTYUGYIMCRDPMPJ-UHFFFAOYSA-N
XLogP0.82
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate (CID 713653) is methyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N)nc1C.
What is the InChIKey of methyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is TYUGYIMCRDPMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-3-4(5(9)10-2)11-6(7)8-3/h1-2H3,(H2,7,8).
What are the key properties of methyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 172.21 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 713653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).