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

C11H11N3O2S — CID 115422173

IUPACmethyl 2-(3-cyclopropylimidazol-4-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(-c2cncn2C2CC2)n1
InChIInChI=1S/C11H11N3O2S/c1-16-11(15)8-5-17-10(13-8)9-4-12-6-14(9)7-2-3-7/h4-7H,2-3H2,1H3
InChIKeyPQZXAFHVJPFMML-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.13
Rot. Bonds3

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

methyl 2-(3-cyclopropylimidazol-4-yl)-1,3-thiazole-4-carboxylate (PubChem CID 115422173) has the molecular formula C11H11N3O2S and a molecular weight of 249.29 g/mol. Its IUPAC name is methyl 2-(3-cyclopropylimidazol-4-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-cyclopropylimidazol-4-yl)-1,3-thiazole-4-carboxylate
PubChem CID115422173
Molecular FormulaC11H11N3O2S
Molecular Weight249.29 g/mol
Exact Mass249.06
IUPAC Namemethyl 2-(3-cyclopropylimidazol-4-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(-c2cncn2C2CC2)n1
InChIInChI=1S/C11H11N3O2S/c1-16-11(15)8-5-17-10(13-8)9-4-12-6-14(9)7-2-3-7/h4-7H,2-3H2,1H3
InChIKeyPQZXAFHVJPFMML-UHFFFAOYSA-N
XLogP2.13
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-cyclopropylimidazol-4-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(3-cyclopropylimidazol-4-yl)-1,3-thiazole-4-carboxylate (CID 115422173) is methyl 2-(3-cyclopropylimidazol-4-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(3-cyclopropylimidazol-4-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(3-cyclopropylimidazol-4-yl)-1,3-thiazole-4-carboxylate is COC(=O)c1csc(-c2cncn2C2CC2)n1.
What is the InChIKey of methyl 2-(3-cyclopropylimidazol-4-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is PQZXAFHVJPFMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-16-11(15)8-5-17-10(13-8)9-4-12-6-14(9)7-2-3-7/h4-7H,2-3H2,1H3.
What are the key properties of methyl 2-(3-cyclopropylimidazol-4-yl)-1,3-thiazole-4-carboxylate?
methyl 2-(3-cyclopropylimidazol-4-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 249.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-cyclopropylimidazol-4-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115422173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).