2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carbonitrile

C17H16N6OS — CID 155230812

IUPAC2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carbonitrile
SMILESCc1cccnc1Nc1nc(-c2cc(C#N)c(OC(C)C)cn2)ns1
InChIInChI=1S/C17H16N6OS/c1-10(2)24-14-9-20-13(7-12(14)8-18)16-22-17(25-23-16)21-15-11(3)5-4-6-19-15/h4-7,9-10H,1-3H3,(H,19,21,22,23)
InChIKeyLYYLJSJCKNSTGL-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.71
Rot. Bonds5

About 2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carbonitrile

2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carbonitrile (PubChem CID 155230812) has the molecular formula C17H16N6OS and a molecular weight of 352.42 g/mol. Its IUPAC name is 2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carbonitrile
PubChem CID155230812
Molecular FormulaC17H16N6OS
Molecular Weight352.42 g/mol
Exact Mass352.11
IUPAC Name2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carbonitrile
SMILESCc1cccnc1Nc1nc(-c2cc(C#N)c(OC(C)C)cn2)ns1
InChIInChI=1S/C17H16N6OS/c1-10(2)24-14-9-20-13(7-12(14)8-18)16-22-17(25-23-16)21-15-11(3)5-4-6-19-15/h4-7,9-10H,1-3H3,(H,19,21,22,23)
InChIKeyLYYLJSJCKNSTGL-UHFFFAOYSA-N
XLogP3.71
TPSA96.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carbonitrile?
The IUPAC name of 2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carbonitrile (CID 155230812) is 2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carbonitrile.
What is the SMILES notation for 2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carbonitrile?
The canonical SMILES for 2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carbonitrile is Cc1cccnc1Nc1nc(-c2cc(C#N)c(OC(C)C)cn2)ns1.
What is the InChIKey of 2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carbonitrile?
The InChIKey is LYYLJSJCKNSTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6OS/c1-10(2)24-14-9-20-13(7-12(14)8-18)16-22-17(25-23-16)21-15-11(3)5-4-6-19-15/h4-7,9-10H,1-3H3,(H,19,21,22,23).
What are the key properties of 2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carbonitrile?
2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carbonitrile has a molecular weight of 352.42 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]-5-propan-2-yloxypyridine-4-carbonitrile is sourced from PubChem (CID 155230812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).