methyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate

C11H10N2O4S — CID 698162

IUPACmethyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)c2ccco2)nc1C
InChIInChI=1S/C11H10N2O4S/c1-6-8(10(15)16-2)18-11(12-6)13-9(14)7-4-3-5-17-7/h3-5H,1-2H3,(H,12,13,14)
InChIKeyOXWKGHAZLBYKGC-UHFFFAOYSA-N
MW266.28 g/mol
LogP2.08
Rot. Bonds3

About methyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 698162) has the molecular formula C11H10N2O4S and a molecular weight of 266.28 g/mol. Its IUPAC name is methyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID698162
Molecular FormulaC11H10N2O4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Namemethyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)c2ccco2)nc1C
InChIInChI=1S/C11H10N2O4S/c1-6-8(10(15)16-2)18-11(12-6)13-9(14)7-4-3-5-17-7/h3-5H,1-2H3,(H,12,13,14)
InChIKeyOXWKGHAZLBYKGC-UHFFFAOYSA-N
XLogP2.08
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate (CID 698162) is methyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(=O)c2ccco2)nc1C.
What is the InChIKey of methyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is OXWKGHAZLBYKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S/c1-6-8(10(15)16-2)18-11(12-6)13-9(14)7-4-3-5-17-7/h3-5H,1-2H3,(H,12,13,14).
What are the key properties of methyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 266.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 698162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).