methyl 3-(2-carbamoylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylate

C13H10N4O3S — CID 101110985

IUPACmethyl 3-(2-carbamoylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylate
SMILESCOC(=O)c1cn2c(-c3ccccc3C(N)=O)nnc2s1
InChIInChI=1S/C13H10N4O3S/c1-20-12(19)9-6-17-11(15-16-13(17)21-9)8-5-3-2-4-7(8)10(14)18/h2-6H,1H3,(H2,14,18)
InChIKeyFWPOTZYUUMMROP-UHFFFAOYSA-N
MW302.32 g/mol
LogP1.34
Rot. Bonds3

About methyl 3-(2-carbamoylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylate

methyl 3-(2-carbamoylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylate (PubChem CID 101110985) has the molecular formula C13H10N4O3S and a molecular weight of 302.32 g/mol. Its IUPAC name is methyl 3-(2-carbamoylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-carbamoylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylate
PubChem CID101110985
Molecular FormulaC13H10N4O3S
Molecular Weight302.32 g/mol
Exact Mass302.05
IUPAC Namemethyl 3-(2-carbamoylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylate
SMILESCOC(=O)c1cn2c(-c3ccccc3C(N)=O)nnc2s1
InChIInChI=1S/C13H10N4O3S/c1-20-12(19)9-6-17-11(15-16-13(17)21-9)8-5-3-2-4-7(8)10(14)18/h2-6H,1H3,(H2,14,18)
InChIKeyFWPOTZYUUMMROP-UHFFFAOYSA-N
XLogP1.34
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-carbamoylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylate?
The IUPAC name of methyl 3-(2-carbamoylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylate (CID 101110985) is methyl 3-(2-carbamoylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylate.
What is the SMILES notation for methyl 3-(2-carbamoylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylate?
The canonical SMILES for methyl 3-(2-carbamoylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylate is COC(=O)c1cn2c(-c3ccccc3C(N)=O)nnc2s1.
What is the InChIKey of methyl 3-(2-carbamoylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylate?
The InChIKey is FWPOTZYUUMMROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3S/c1-20-12(19)9-6-17-11(15-16-13(17)21-9)8-5-3-2-4-7(8)10(14)18/h2-6H,1H3,(H2,14,18).
What are the key properties of methyl 3-(2-carbamoylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylate?
methyl 3-(2-carbamoylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylate has a molecular weight of 302.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-carbamoylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-6-carboxylate is sourced from PubChem (CID 101110985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).