3-methyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1-benzofuran-2-carboxamide

C20H14N4O2S — CID 108811403

IUPAC3-methyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2nc3scc(-c4ccccc4)n3n2)oc2ccccc12
InChIInChI=1S/C20H14N4O2S/c1-12-14-9-5-6-10-16(14)26-17(12)18(25)21-19-22-20-24(23-19)15(11-27-20)13-7-3-2-4-8-13/h2-11H,1H3,(H,21,23,25)
InChIKeyLIGBERDJFOFXBH-UHFFFAOYSA-N
MW374.43 g/mol
LogP4.76
Rot. Bonds3

About 3-methyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1-benzofuran-2-carboxamide

3-methyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 108811403) has the molecular formula C20H14N4O2S and a molecular weight of 374.43 g/mol. Its IUPAC name is 3-methyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1-benzofuran-2-carboxamide
PubChem CID108811403
Molecular FormulaC20H14N4O2S
Molecular Weight374.43 g/mol
Exact Mass374.08
IUPAC Name3-methyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2nc3scc(-c4ccccc4)n3n2)oc2ccccc12
InChIInChI=1S/C20H14N4O2S/c1-12-14-9-5-6-10-16(14)26-17(12)18(25)21-19-22-20-24(23-19)15(11-27-20)13-7-3-2-4-8-13/h2-11H,1H3,(H,21,23,25)
InChIKeyLIGBERDJFOFXBH-UHFFFAOYSA-N
XLogP4.76
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-phenyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108751770
3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 7770823
N-methyl-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 116829136
N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 108751894
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-oxochromene-3-carboxamide
CID 108728996
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide
CID 108752306
3-phenoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108727778
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide
CID 108811515
2-methylpropyl N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate
CID 108727855
2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide
CID 108727907
3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide
CID 648777
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-chlorobenzamide
CID 108752967

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1-benzofuran-2-carboxamide (CID 108811403) is 3-methyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2nc3scc(-c4ccccc4)n3n2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is LIGBERDJFOFXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2S/c1-12-14-9-5-6-10-16(14)26-17(12)18(25)21-19-22-20-24(23-19)15(11-27-20)13-7-3-2-4-8-13/h2-11H,1H3,(H,21,23,25).
What are the key properties of 3-methyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1-benzofuran-2-carboxamide?
3-methyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 374.43 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 108811403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).