methyl 2-(7-oxaspiro[3.5]non-2-ene-2-carbonylamino)-1,3-thiazole-5-carboxylate

C14H16N2O4S — CID 167817383

IUPACmethyl 2-(7-oxaspiro[3.5]non-2-ene-2-carbonylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)C2=CC3(CCOCC3)C2)s1
InChIInChI=1S/C14H16N2O4S/c1-19-12(18)10-8-15-13(21-10)16-11(17)9-6-14(7-9)2-4-20-5-3-14/h6,8H,2-5,7H2,1H3,(H,15,16,17)
InChIKeyNBATXDKQSFZUPV-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.00
Rot. Bonds3

About methyl 2-(7-oxaspiro[3.5]non-2-ene-2-carbonylamino)-1,3-thiazole-5-carboxylate

methyl 2-(7-oxaspiro[3.5]non-2-ene-2-carbonylamino)-1,3-thiazole-5-carboxylate (PubChem CID 167817383) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is methyl 2-(7-oxaspiro[3.5]non-2-ene-2-carbonylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(7-oxaspiro[3.5]non-2-ene-2-carbonylamino)-1,3-thiazole-5-carboxylate
PubChem CID167817383
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Namemethyl 2-(7-oxaspiro[3.5]non-2-ene-2-carbonylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)C2=CC3(CCOCC3)C2)s1
InChIInChI=1S/C14H16N2O4S/c1-19-12(18)10-8-15-13(21-10)16-11(17)9-6-14(7-9)2-4-20-5-3-14/h6,8H,2-5,7H2,1H3,(H,15,16,17)
InChIKeyNBATXDKQSFZUPV-UHFFFAOYSA-N
XLogP2.00
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(7-oxaspiro[3.5]non-2-ene-2-carbonylamino)-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-oxaspiro[3.5]non-2-ene-2-carbonylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(7-oxaspiro[3.5]non-2-ene-2-carbonylamino)-1,3-thiazole-5-carboxylate (CID 167817383) is methyl 2-(7-oxaspiro[3.5]non-2-ene-2-carbonylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(7-oxaspiro[3.5]non-2-ene-2-carbonylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(7-oxaspiro[3.5]non-2-ene-2-carbonylamino)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)C2=CC3(CCOCC3)C2)s1.
What is the InChIKey of methyl 2-(7-oxaspiro[3.5]non-2-ene-2-carbonylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is NBATXDKQSFZUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-19-12(18)10-8-15-13(21-10)16-11(17)9-6-14(7-9)2-4-20-5-3-14/h6,8H,2-5,7H2,1H3,(H,15,16,17).
What are the key properties of methyl 2-(7-oxaspiro[3.5]non-2-ene-2-carbonylamino)-1,3-thiazole-5-carboxylate?
methyl 2-(7-oxaspiro[3.5]non-2-ene-2-carbonylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 308.36 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-oxaspiro[3.5]non-2-ene-2-carbonylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 167817383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).