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

C11H11NO3S — CID 115422266

IUPACmethyl 5-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C)o2)sc1C
InChIInChI=1S/C11H11NO3S/c1-6-4-5-8(15-6)10-12-9(7(2)16-10)11(13)14-3/h4-5H,1-3H3
InChIKeyVSTOYBZSPRIFDU-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.81
Rot. Bonds2

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

methyl 5-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate (PubChem CID 115422266) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is methyl 5-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate
PubChem CID115422266
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Namemethyl 5-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C)o2)sc1C
InChIInChI=1S/C11H11NO3S/c1-6-4-5-8(15-6)10-12-9(7(2)16-10)11(13)14-3/h4-5H,1-3H3
InChIKeyVSTOYBZSPRIFDU-UHFFFAOYSA-N
XLogP2.81
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate (CID 115422266) is methyl 5-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(-c2ccc(C)o2)sc1C.
What is the InChIKey of methyl 5-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is VSTOYBZSPRIFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-6-4-5-8(15-6)10-12-9(7(2)16-10)11(13)14-3/h4-5H,1-3H3.
What are the key properties of methyl 5-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate?
methyl 5-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 237.28 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115422266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).