methyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-carboxylate

C11H13N3O2S — CID 65171351

IUPACmethyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-carboxylate
SMILESCOC(=O)c1cnc(C)n1Cc1cnc(C)s1
InChIInChI=1S/C11H13N3O2S/c1-7-12-5-10(11(15)16-3)14(7)6-9-4-13-8(2)17-9/h4-5H,6H2,1-3H3
InChIKeyDMIVMDWQHLZUGI-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.79
Rot. Bonds3

About methyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-carboxylate

methyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-carboxylate (PubChem CID 65171351) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is methyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-carboxylate
PubChem CID65171351
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Namemethyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-carboxylate
SMILESCOC(=O)c1cnc(C)n1Cc1cnc(C)s1
InChIInChI=1S/C11H13N3O2S/c1-7-12-5-10(11(15)16-3)14(7)6-9-4-13-8(2)17-9/h4-5H,6H2,1-3H3
InChIKeyDMIVMDWQHLZUGI-UHFFFAOYSA-N
XLogP1.79
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-carboxylate?
The IUPAC name of methyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-carboxylate (CID 65171351) is methyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-carboxylate.
What is the SMILES notation for methyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-carboxylate?
The canonical SMILES for methyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-carboxylate is COC(=O)c1cnc(C)n1Cc1cnc(C)s1.
What is the InChIKey of methyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-carboxylate?
The InChIKey is DMIVMDWQHLZUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-7-12-5-10(11(15)16-3)14(7)6-9-4-13-8(2)17-9/h4-5H,6H2,1-3H3.
What are the key properties of methyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-carboxylate?
methyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-carboxylate has a molecular weight of 251.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-carboxylate is sourced from PubChem (CID 65171351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).