methyl 4-methyl-2-(2H-triazol-4-yl)-1,3-thiazole-5-carboxylate

C8H8N4O2S — CID 130568901

IUPACmethyl 4-methyl-2-(2H-triazol-4-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2cn[nH]n2)nc1C
InChIInChI=1S/C8H8N4O2S/c1-4-6(8(13)14-2)15-7(10-4)5-3-9-12-11-5/h3H,1-2H3,(H,9,11,12)
InChIKeyAGCODBCXEACWCV-UHFFFAOYSA-N
MW224.25 g/mol
LogP1.02
Rot. Bonds2

About methyl 4-methyl-2-(2H-triazol-4-yl)-1,3-thiazole-5-carboxylate

methyl 4-methyl-2-(2H-triazol-4-yl)-1,3-thiazole-5-carboxylate (PubChem CID 130568901) has the molecular formula C8H8N4O2S and a molecular weight of 224.25 g/mol. Its IUPAC name is methyl 4-methyl-2-(2H-triazol-4-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(2H-triazol-4-yl)-1,3-thiazole-5-carboxylate
PubChem CID130568901
Molecular FormulaC8H8N4O2S
Molecular Weight224.25 g/mol
Exact Mass224.04
IUPAC Namemethyl 4-methyl-2-(2H-triazol-4-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(-c2cn[nH]n2)nc1C
InChIInChI=1S/C8H8N4O2S/c1-4-6(8(13)14-2)15-7(10-4)5-3-9-12-11-5/h3H,1-2H3,(H,9,11,12)
InChIKeyAGCODBCXEACWCV-UHFFFAOYSA-N
XLogP1.02
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylate
CID 115327950
methyl 2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 107124592
methyl 4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole-5-carboxylate
CID 114078260
methyl 4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxylate
CID 78916354
methyl 4-methyl-2-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxylate
CID 115327961
methyl 2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 115327916
methyl 4-methyl-2-(1H-pyrazole-4-carbonylamino)-1,3-thiazole-5-carboxylate
CID 110466732
methyl 2-(4-bromo-5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 102842185
ethyl 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylate
CID 2740342
methyl 2-[(3-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 79017484
methyl 4-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxylate
CID 154752871
methyl 2-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 115350310

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(2H-triazol-4-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-(2H-triazol-4-yl)-1,3-thiazole-5-carboxylate (CID 130568901) is methyl 4-methyl-2-(2H-triazol-4-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-(2H-triazol-4-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-(2H-triazol-4-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(-c2cn[nH]n2)nc1C.
What is the InChIKey of methyl 4-methyl-2-(2H-triazol-4-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is AGCODBCXEACWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2S/c1-4-6(8(13)14-2)15-7(10-4)5-3-9-12-11-5/h3H,1-2H3,(H,9,11,12).
What are the key properties of methyl 4-methyl-2-(2H-triazol-4-yl)-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-(2H-triazol-4-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 224.25 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-(2H-triazol-4-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 130568901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).