N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide

C22H16N4O2S — CID 108752665

IUPACN-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide
SMILESCOc1ccccc1-c1csc2nc(NC(=O)c3cccc4ccccc34)nn12
InChIInChI=1S/C22H16N4O2S/c1-28-19-12-5-4-10-17(19)18-13-29-22-24-21(25-26(18)22)23-20(27)16-11-6-8-14-7-2-3-9-15(14)16/h2-13H,1H3,(H,23,25,27)
InChIKeyZAMHFNMVMAQVTR-UHFFFAOYSA-N
MW400.46 g/mol
LogP4.87
Rot. Bonds4

About N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide

N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide (PubChem CID 108752665) has the molecular formula C22H16N4O2S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide
PubChem CID108752665
Molecular FormulaC22H16N4O2S
Molecular Weight400.46 g/mol
Exact Mass400.10
IUPAC NameN-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide
SMILESCOc1ccccc1-c1csc2nc(NC(=O)c3cccc4ccccc34)nn12
InChIInChI=1S/C22H16N4O2S/c1-28-19-12-5-4-10-17(19)18-13-29-22-24-21(25-26(18)22)23-20(27)16-11-6-8-14-7-2-3-9-15(14)16/h2-13H,1H3,(H,23,25,27)
InChIKeyZAMHFNMVMAQVTR-UHFFFAOYSA-N
XLogP4.87
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-nitrobenzamide
CID 108728735
4-bromo-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108728841
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide
CID 108752306
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-methylfuran-2-carboxamide
CID 108728826
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-methoxybenzamide
CID 108752948
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(3-methylphenoxy)acetamide
CID 108728816
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(2-prop-2-enoxyphenoxy)acetamide
CID 108752647
4-(5-chloro-2-methoxyphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-4-oxobutanamide
CID 108728824
2-(4-chlorophenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 108809594
4-chloro-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-nitrobenzamide
CID 108728711
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(3-propan-2-ylphenoxy)acetamide
CID 108728781
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]thiophene-2-sulfonamide
CID 108780733

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide (CID 108752665) is N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide is COc1ccccc1-c1csc2nc(NC(=O)c3cccc4ccccc34)nn12.
What is the InChIKey of N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide?
The InChIKey is ZAMHFNMVMAQVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O2S/c1-28-19-12-5-4-10-17(19)18-13-29-22-24-21(25-26(18)22)23-20(27)16-11-6-8-14-7-2-3-9-15(14)16/h2-13H,1H3,(H,23,25,27).
What are the key properties of N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide?
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 108752665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).