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

C8H8N4O2S — CID 130598615

IUPACmethyl 2-(1-methyltriazol-4-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2cn(C)nn2)s1
InChIInChI=1S/C8H8N4O2S/c1-12-4-5(10-11-12)7-9-3-6(15-7)8(13)14-2/h3-4H,1-2H3
InChIKeyAPIFLIMTIXETAE-UHFFFAOYSA-N
MW224.25 g/mol
LogP0.73
Rot. Bonds2

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

methyl 2-(1-methyltriazol-4-yl)-1,3-thiazole-5-carboxylate (PubChem CID 130598615) has the molecular formula C8H8N4O2S and a molecular weight of 224.25 g/mol. Its IUPAC name is methyl 2-(1-methyltriazol-4-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-methyltriazol-4-yl)-1,3-thiazole-5-carboxylate
PubChem CID130598615
Molecular FormulaC8H8N4O2S
Molecular Weight224.25 g/mol
Exact Mass224.04
IUPAC Namemethyl 2-(1-methyltriazol-4-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2cn(C)nn2)s1
InChIInChI=1S/C8H8N4O2S/c1-12-4-5(10-11-12)7-9-3-6(15-7)8(13)14-2/h3-4H,1-2H3
InChIKeyAPIFLIMTIXETAE-UHFFFAOYSA-N
XLogP0.73
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-(6-methoxypyridazin-3-yl)-1,3-thiazole-5-carboxylate
CID 103372984
methyl 2-(1-methyltriazol-4-yl)-1H-imidazole-5-carboxylate
CID 130598798
methyl 2-(1-propylpyrazol-4-yl)-1,3-thiazole-5-carboxylate
CID 103572384
methyl 2-(1-ethylpyrazol-4-yl)-1,3-thiazole-5-carboxylate
CID 103570067
methyl 2-chloro-4-(1-methyltriazol-4-yl)-1,3-thiazole-5-carboxylate
CID 59864582
methyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 57362704
methyl 2-(3-propylimidazol-4-yl)-1,3-thiazole-5-carboxylate
CID 80573879
2-(1-methylimidazol-4-yl)-1,3-thiazole-5-carboxylic acid
CID 130598614
methyl 2-[4-(difluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
CID 115524717
methyl 2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazole-5-carboxylate
CID 80573858
methyl 2-(1-benzofuran-2-yl)-1,3-thiazole-5-carboxylate
CID 80572975
methyl N-[6-(1-methyltriazol-4-yl)-3-pyridinyl]carbamate
CID 168835649

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methyltriazol-4-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(1-methyltriazol-4-yl)-1,3-thiazole-5-carboxylate (CID 130598615) is methyl 2-(1-methyltriazol-4-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(1-methyltriazol-4-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(1-methyltriazol-4-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(-c2cn(C)nn2)s1.
What is the InChIKey of methyl 2-(1-methyltriazol-4-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is APIFLIMTIXETAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2S/c1-12-4-5(10-11-12)7-9-3-6(15-7)8(13)14-2/h3-4H,1-2H3.
What are the key properties of methyl 2-(1-methyltriazol-4-yl)-1,3-thiazole-5-carboxylate?
methyl 2-(1-methyltriazol-4-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 224.25 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methyltriazol-4-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 130598615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).