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

C14H11N3O3S — CID 87562643

IUPACmethyl 2-(isoindole-2-carbonylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)n2cc3ccccc3c2)s1
InChIInChI=1S/C14H11N3O3S/c1-20-12(18)11-6-15-13(21-11)16-14(19)17-7-9-4-2-3-5-10(9)8-17/h2-8H,1H3,(H,15,16,19)
InChIKeyIUEJPDLNXLCBHU-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.96
Rot. Bonds2

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

methyl 2-(isoindole-2-carbonylamino)-1,3-thiazole-5-carboxylate (PubChem CID 87562643) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is methyl 2-(isoindole-2-carbonylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(isoindole-2-carbonylamino)-1,3-thiazole-5-carboxylate
PubChem CID87562643
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Namemethyl 2-(isoindole-2-carbonylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)n2cc3ccccc3c2)s1
InChIInChI=1S/C14H11N3O3S/c1-20-12(18)11-6-15-13(21-11)16-14(19)17-7-9-4-2-3-5-10(9)8-17/h2-8H,1H3,(H,15,16,19)
InChIKeyIUEJPDLNXLCBHU-UHFFFAOYSA-N
XLogP2.96
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(isoindole-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-(isoindole-2-carbonylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(isoindole-2-carbonylamino)-1,3-thiazole-5-carboxylate (CID 87562643) is methyl 2-(isoindole-2-carbonylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(isoindole-2-carbonylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(isoindole-2-carbonylamino)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)n2cc3ccccc3c2)s1.
What is the InChIKey of methyl 2-(isoindole-2-carbonylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is IUEJPDLNXLCBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c1-20-12(18)11-6-15-13(21-11)16-14(19)17-7-9-4-2-3-5-10(9)8-17/h2-8H,1H3,(H,15,16,19).
What are the key properties of methyl 2-(isoindole-2-carbonylamino)-1,3-thiazole-5-carboxylate?
methyl 2-(isoindole-2-carbonylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 301.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(isoindole-2-carbonylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 87562643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).