2-methyl-4-[4-phenyl-1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)piperidin-4-yl]-1,3-thiazole

C22H23N5S — CID 165422083

IUPAC2-methyl-4-[4-phenyl-1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)piperidin-4-yl]-1,3-thiazole
SMILESCc1nc(C2(c3ccccc3)CCN(Cc3cccc4ncnn34)CC2)cs1
InChIInChI=1S/C22H23N5S/c1-17-25-20(15-28-17)22(18-6-3-2-4-7-18)10-12-26(13-11-22)14-19-8-5-9-21-23-16-24-27(19)21/h2-9,15-16H,10-14H2,1H3
InChIKeyNSFUXNNMEAGVOR-UHFFFAOYSA-N
MW389.53 g/mol
LogP4.08
Rot. Bonds4

About 2-methyl-4-[4-phenyl-1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)piperidin-4-yl]-1,3-thiazole

2-methyl-4-[4-phenyl-1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)piperidin-4-yl]-1,3-thiazole (PubChem CID 165422083) has the molecular formula C22H23N5S and a molecular weight of 389.53 g/mol. Its IUPAC name is 2-methyl-4-[4-phenyl-1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)piperidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[4-phenyl-1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)piperidin-4-yl]-1,3-thiazole
PubChem CID165422083
Molecular FormulaC22H23N5S
Molecular Weight389.53 g/mol
Exact Mass389.17
IUPAC Name2-methyl-4-[4-phenyl-1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)piperidin-4-yl]-1,3-thiazole
SMILESCc1nc(C2(c3ccccc3)CCN(Cc3cccc4ncnn34)CC2)cs1
InChIInChI=1S/C22H23N5S/c1-17-25-20(15-28-17)22(18-6-3-2-4-7-18)10-12-26(13-11-22)14-19-8-5-9-21-23-16-24-27(19)21/h2-9,15-16H,10-14H2,1H3
InChIKeyNSFUXNNMEAGVOR-UHFFFAOYSA-N
XLogP4.08
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-phenyl-1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)piperidin-4-yl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[4-phenyl-1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)piperidin-4-yl]-1,3-thiazole (CID 165422083) is 2-methyl-4-[4-phenyl-1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)piperidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[4-phenyl-1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)piperidin-4-yl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[4-phenyl-1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)piperidin-4-yl]-1,3-thiazole is Cc1nc(C2(c3ccccc3)CCN(Cc3cccc4ncnn34)CC2)cs1.
What is the InChIKey of 2-methyl-4-[4-phenyl-1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)piperidin-4-yl]-1,3-thiazole?
The InChIKey is NSFUXNNMEAGVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5S/c1-17-25-20(15-28-17)22(18-6-3-2-4-7-18)10-12-26(13-11-22)14-19-8-5-9-21-23-16-24-27(19)21/h2-9,15-16H,10-14H2,1H3.
What are the key properties of 2-methyl-4-[4-phenyl-1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)piperidin-4-yl]-1,3-thiazole?
2-methyl-4-[4-phenyl-1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)piperidin-4-yl]-1,3-thiazole has a molecular weight of 389.53 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-phenyl-1-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)piperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 165422083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).