5-(2-methoxy-6-methylphenyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine

C18H16N6OS — CID 68563776

IUPAC5-(2-methoxy-6-methylphenyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine
SMILESCOc1cccc(C)c1-c1cnnc(NCc2nc3cnccc3s2)n1
InChIInChI=1S/C18H16N6OS/c1-11-4-3-5-14(25-2)17(11)13-9-21-24-18(23-13)20-10-16-22-12-8-19-7-6-15(12)26-16/h3-9H,10H2,1-2H3,(H,20,23,24)
InChIKeyTZELUBNSZMBHFZ-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.47
Rot. Bonds5

About 5-(2-methoxy-6-methylphenyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine

5-(2-methoxy-6-methylphenyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine (PubChem CID 68563776) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is 5-(2-methoxy-6-methylphenyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(2-methoxy-6-methylphenyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine
PubChem CID68563776
Molecular FormulaC18H16N6OS
Molecular Weight364.43 g/mol
Exact Mass364.11
IUPAC Name5-(2-methoxy-6-methylphenyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine
SMILESCOc1cccc(C)c1-c1cnnc(NCc2nc3cnccc3s2)n1
InChIInChI=1S/C18H16N6OS/c1-11-4-3-5-14(25-2)17(11)13-9-21-24-18(23-13)20-10-16-22-12-8-19-7-6-15(12)26-16/h3-9H,10H2,1-2H3,(H,20,23,24)
InChIKeyTZELUBNSZMBHFZ-UHFFFAOYSA-N
XLogP3.47
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(2-methoxy-6-methylphenyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

5-(2,6-dimethylphenyl)-N-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-1,2,4-triazin-3-amine
CID 68565478
N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]-5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-amine
CID 68562270
5-(2-methoxy-6-methylphenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine
CID 68566675
2-[[2-[[[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino]methyl]-1,3-benzothiazol-5-yl]oxy]acetic acid
CID 70679459
N-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine
CID 90864949
2-amino-N-[4-[3-[(5-methoxy-1,3-benzothiazol-2-yl)methylamino]-1,2,4-triazin-5-yl]-3,5-dimethylphenyl]acetamide
CID 68566832
N-[[5-(2-aminoethylsulfanyl)-1,3-benzothiazol-2-yl]methyl]-5-(2,6-dichlorophenyl)-1,2,4-triazin-3-amine
CID 44610039
4-[3-[(5-amino-1,3-benzothiazol-2-yl)methylamino]-1,2,4-triazin-5-yl]-3-methylphenol
CID 136592012
N-(1,3-benzothiazol-2-ylmethyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
CID 45247421
5-(2,6-dimethoxyphenyl)-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine
CID 42507959
5-(2,4-dimethoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]-1,2,4-triazin-3-amine
CID 29150259
4-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 71573956

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-6-methylphenyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(2-methoxy-6-methylphenyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine (CID 68563776) is 5-(2-methoxy-6-methylphenyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(2-methoxy-6-methylphenyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(2-methoxy-6-methylphenyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine is COc1cccc(C)c1-c1cnnc(NCc2nc3cnccc3s2)n1.
What is the InChIKey of 5-(2-methoxy-6-methylphenyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine?
The InChIKey is TZELUBNSZMBHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c1-11-4-3-5-14(25-2)17(11)13-9-21-24-18(23-13)20-10-16-22-12-8-19-7-6-15(12)26-16/h3-9H,10H2,1-2H3,(H,20,23,24).
What are the key properties of 5-(2-methoxy-6-methylphenyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine?
5-(2-methoxy-6-methylphenyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine has a molecular weight of 364.43 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-6-methylphenyl)-N-([1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 68563776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).