N-[(4-fluorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine

C22H17FN6S — CID 70697382

IUPACN-[(4-fluorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
SMILESCc1cccc(-c2nc(NCc3ccc(F)cc3)sc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C22H17FN6S/c1-14-3-2-4-18(27-14)20-21(16-7-10-19-25-13-26-29(19)12-16)30-22(28-20)24-11-15-5-8-17(23)9-6-15/h2-10,12-13H,11H2,1H3,(H,24,28)
InChIKeyPNNHSDGMXFKVRN-UHFFFAOYSA-N
MW416.49 g/mol
LogP4.97
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine

N-[(4-fluorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine (PubChem CID 70697382) has the molecular formula C22H17FN6S and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
PubChem CID70697382
Molecular FormulaC22H17FN6S
Molecular Weight416.49 g/mol
Exact Mass416.12
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
SMILESCc1cccc(-c2nc(NCc3ccc(F)cc3)sc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C22H17FN6S/c1-14-3-2-4-18(27-14)20-21(16-7-10-19-25-13-26-29(19)12-16)30-22(28-20)24-11-15-5-8-17(23)9-6-15/h2-10,12-13H,11H2,1H3,(H,24,28)
InChIKeyPNNHSDGMXFKVRN-UHFFFAOYSA-N
XLogP4.97
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine (CID 70697382) is N-[(4-fluorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine is Cc1cccc(-c2nc(NCc3ccc(F)cc3)sc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine?
The InChIKey is PNNHSDGMXFKVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6S/c1-14-3-2-4-18(27-14)20-21(16-7-10-19-25-13-26-29(19)12-16)30-22(28-20)24-11-15-5-8-17(23)9-6-15/h2-10,12-13H,11H2,1H3,(H,24,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine?
N-[(4-fluorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine has a molecular weight of 416.49 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 70697382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).