N-[6-(4-methoxyphenyl)pyridazin-3-yl]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

C16H14N6OS — CID 108776575

IUPACN-[6-(4-methoxyphenyl)pyridazin-3-yl]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESCOc1ccc(-c2ccc(Nc3nc4scc(C)n4n3)nn2)cc1
InChIInChI=1S/C16H14N6OS/c1-10-9-24-16-18-15(21-22(10)16)17-14-8-7-13(19-20-14)11-3-5-12(23-2)6-4-11/h3-9H,1-2H3,(H,17,20,21)
InChIKeyZKYKNNSFSNGGCA-UHFFFAOYSA-N
MW338.40 g/mol
LogP3.31
Rot. Bonds4

About N-[6-(4-methoxyphenyl)pyridazin-3-yl]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

N-[6-(4-methoxyphenyl)pyridazin-3-yl]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (PubChem CID 108776575) has the molecular formula C16H14N6OS and a molecular weight of 338.40 g/mol. Its IUPAC name is N-[6-(4-methoxyphenyl)pyridazin-3-yl]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.

Molecular Properties

Compound NameN-[6-(4-methoxyphenyl)pyridazin-3-yl]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
PubChem CID108776575
Molecular FormulaC16H14N6OS
Molecular Weight338.40 g/mol
Exact Mass338.09
IUPAC NameN-[6-(4-methoxyphenyl)pyridazin-3-yl]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESCOc1ccc(-c2ccc(Nc3nc4scc(C)n4n3)nn2)cc1
InChIInChI=1S/C16H14N6OS/c1-10-9-24-16-18-15(21-22(10)16)17-14-8-7-13(19-20-14)11-3-5-12(23-2)6-4-11/h3-9H,1-2H3,(H,17,20,21)
InChIKeyZKYKNNSFSNGGCA-UHFFFAOYSA-N
XLogP3.31
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(4-chlorophenyl)-N-[6-(4-methoxyphenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772445
methyl 6-[[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyridazine-3-carboxylate
CID 108772596
6-(4-fluorophenyl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772361
6-methoxy-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine
CID 108776569
N-[4-[2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]phenyl]acetamide
CID 108772640
4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-[6-(4-methoxyphenyl)pyridazin-3-yl]benzene-1,4-diamine
CID 108777599
4-methoxy-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 108780595
N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)methanesulfonamide
CID 108782821
N-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772231
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide
CID 108729059
N-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,2,5-thiadiazole-3-carboxamide
CID 178030050
2-chloro-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108729063

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methoxyphenyl)pyridazin-3-yl]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The IUPAC name of N-[6-(4-methoxyphenyl)pyridazin-3-yl]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (CID 108776575) is N-[6-(4-methoxyphenyl)pyridazin-3-yl]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.
What is the SMILES notation for N-[6-(4-methoxyphenyl)pyridazin-3-yl]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The canonical SMILES for N-[6-(4-methoxyphenyl)pyridazin-3-yl]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is COc1ccc(-c2ccc(Nc3nc4scc(C)n4n3)nn2)cc1.
What is the InChIKey of N-[6-(4-methoxyphenyl)pyridazin-3-yl]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The InChIKey is ZKYKNNSFSNGGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS/c1-10-9-24-16-18-15(21-22(10)16)17-14-8-7-13(19-20-14)11-3-5-12(23-2)6-4-11/h3-9H,1-2H3,(H,17,20,21).
What are the key properties of N-[6-(4-methoxyphenyl)pyridazin-3-yl]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
N-[6-(4-methoxyphenyl)pyridazin-3-yl]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine has a molecular weight of 338.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methoxyphenyl)pyridazin-3-yl]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is sourced from PubChem (CID 108776575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).