methyl 2-(1-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate

C8H12N2O2S — CID 115422024

IUPACmethyl 2-(1-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C(C)N)sc1C
InChIInChI=1S/C8H12N2O2S/c1-4(9)7-10-6(5(2)13-7)8(11)12-3/h4H,9H2,1-3H3
InChIKeyOUKBDFXOJUVIFL-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.26
Rot. Bonds2

About methyl 2-(1-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate

methyl 2-(1-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 115422024) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is methyl 2-(1-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID115422024
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Namemethyl 2-(1-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C(C)N)sc1C
InChIInChI=1S/C8H12N2O2S/c1-4(9)7-10-6(5(2)13-7)8(11)12-3/h4H,9H2,1-3H3
InChIKeyOUKBDFXOJUVIFL-UHFFFAOYSA-N
XLogP1.26
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-methyl-2-[1-(methylamino)propan-2-yl]-1,3-thiazole-4-carboxylate
CID 104513438
methyl 5-methyl-2-[(1R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carboxylate
CID 101222843
methyl 5-methyl-2-[2-methylpropyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate
CID 115424090
2-(1-aminoethyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 155956623
ethyl 2-(1-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527156
methyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate
CID 115422950
methyl 5-methyl-2-(5-methylhexylamino)-1,3-thiazole-4-carboxylate
CID 113307344
2-(1-aminoethyl)-5-methyl-N-[1-methyl-3-(3-methylbutan-2-yloxy)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 166286676
methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate
CID 74890602
methyl 2-[(dimethylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 115422814
ethyl 2-[cyclohexyl(methoxy)methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 116744481
ethyl 2-[cyclopropyl(methoxy)methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 116705209

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(1-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate (CID 115422024) is methyl 2-(1-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(1-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(1-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(C(C)N)sc1C.
What is the InChIKey of methyl 2-(1-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is OUKBDFXOJUVIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-4(9)7-10-6(5(2)13-7)8(11)12-3/h4H,9H2,1-3H3.
What are the key properties of methyl 2-(1-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate?
methyl 2-(1-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 200.26 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115422024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).