methyl 2-(3-methyl-1,2-thiazol-5-yl)-1H-imidazole-5-carboxylate

C9H9N3O2S — CID 164656292

IUPACmethyl 2-(3-methyl-1,2-thiazol-5-yl)-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2cc(C)ns2)[nH]1
InChIInChI=1S/C9H9N3O2S/c1-5-3-7(15-12-5)8-10-4-6(11-8)9(13)14-2/h3-4H,1-2H3,(H,10,11)
InChIKeyHQWHOCVBTMYTPY-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.63
Rot. Bonds2

About methyl 2-(3-methyl-1,2-thiazol-5-yl)-1H-imidazole-5-carboxylate

methyl 2-(3-methyl-1,2-thiazol-5-yl)-1H-imidazole-5-carboxylate (PubChem CID 164656292) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is methyl 2-(3-methyl-1,2-thiazol-5-yl)-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-methyl-1,2-thiazol-5-yl)-1H-imidazole-5-carboxylate
PubChem CID164656292
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Namemethyl 2-(3-methyl-1,2-thiazol-5-yl)-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2cc(C)ns2)[nH]1
InChIInChI=1S/C9H9N3O2S/c1-5-3-7(15-12-5)8-10-4-6(11-8)9(13)14-2/h3-4H,1-2H3,(H,10,11)
InChIKeyHQWHOCVBTMYTPY-UHFFFAOYSA-N
XLogP1.63
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methyl-1,2-thiazol-5-yl)-1H-imidazole-5-carboxylate?
The IUPAC name of methyl 2-(3-methyl-1,2-thiazol-5-yl)-1H-imidazole-5-carboxylate (CID 164656292) is methyl 2-(3-methyl-1,2-thiazol-5-yl)-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 2-(3-methyl-1,2-thiazol-5-yl)-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl 2-(3-methyl-1,2-thiazol-5-yl)-1H-imidazole-5-carboxylate is COC(=O)c1cnc(-c2cc(C)ns2)[nH]1.
What is the InChIKey of methyl 2-(3-methyl-1,2-thiazol-5-yl)-1H-imidazole-5-carboxylate?
The InChIKey is HQWHOCVBTMYTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-5-3-7(15-12-5)8-10-4-6(11-8)9(13)14-2/h3-4H,1-2H3,(H,10,11).
What are the key properties of methyl 2-(3-methyl-1,2-thiazol-5-yl)-1H-imidazole-5-carboxylate?
methyl 2-(3-methyl-1,2-thiazol-5-yl)-1H-imidazole-5-carboxylate has a molecular weight of 223.26 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methyl-1,2-thiazol-5-yl)-1H-imidazole-5-carboxylate is sourced from PubChem (CID 164656292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).