2-methyl-N-[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,3-thiazol-5-amine

C17H15N5O2S2 — CID 59186198

IUPAC2-methyl-N-[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,3-thiazol-5-amine
SMILESCc1ncc(Nc2nc3cccc(-c4cccc(S(C)(=O)=O)c4)n3n2)s1
InChIInChI=1S/C17H15N5O2S2/c1-11-18-10-16(25-11)20-17-19-15-8-4-7-14(22(15)21-17)12-5-3-6-13(9-12)26(2,23)24/h3-10H,1-2H3,(H,20,21)
InChIKeyIQGFRYQVXOVEEB-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.31
Rot. Bonds4

About 2-methyl-N-[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,3-thiazol-5-amine

2-methyl-N-[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,3-thiazol-5-amine (PubChem CID 59186198) has the molecular formula C17H15N5O2S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-methyl-N-[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-methyl-N-[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,3-thiazol-5-amine
PubChem CID59186198
Molecular FormulaC17H15N5O2S2
Molecular Weight385.47 g/mol
Exact Mass385.07
IUPAC Name2-methyl-N-[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,3-thiazol-5-amine
SMILESCc1ncc(Nc2nc3cccc(-c4cccc(S(C)(=O)=O)c4)n3n2)s1
InChIInChI=1S/C17H15N5O2S2/c1-11-18-10-16(25-11)20-17-19-15-8-4-7-14(22(15)21-17)12-5-3-6-13(9-12)26(2,23)24/h3-10H,1-2H3,(H,20,21)
InChIKeyIQGFRYQVXOVEEB-UHFFFAOYSA-N
XLogP3.31
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,3-thiazol-5-amine?
The IUPAC name of 2-methyl-N-[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,3-thiazol-5-amine (CID 59186198) is 2-methyl-N-[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,3-thiazol-5-amine.
What is the SMILES notation for 2-methyl-N-[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,3-thiazol-5-amine?
The canonical SMILES for 2-methyl-N-[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,3-thiazol-5-amine is Cc1ncc(Nc2nc3cccc(-c4cccc(S(C)(=O)=O)c4)n3n2)s1.
What is the InChIKey of 2-methyl-N-[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,3-thiazol-5-amine?
The InChIKey is IQGFRYQVXOVEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S2/c1-11-18-10-16(25-11)20-17-19-15-8-4-7-14(22(15)21-17)12-5-3-6-13(9-12)26(2,23)24/h3-10H,1-2H3,(H,20,21).
What are the key properties of 2-methyl-N-[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,3-thiazol-5-amine?
2-methyl-N-[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,3-thiazol-5-amine has a molecular weight of 385.47 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 2-methyl-N-[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,3-thiazol-5-amine is sourced from PubChem (CID 59186198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).