4-[2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine

C20H26N6OS — CID 131669080

IUPAC4-[2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine
SMILESCc1ncsc1CN1CCCC(c2nc3ccc(N4CCOCC4)cn3n2)C1
InChIInChI=1S/C20H26N6OS/c1-15-18(28-14-21-15)13-24-6-2-3-16(11-24)20-22-19-5-4-17(12-26(19)23-20)25-7-9-27-10-8-25/h4-5,12,14,16H,2-3,6-11,13H2,1H3
InChIKeyVBGXMNKLVHDGRR-UHFFFAOYSA-N
MW398.54 g/mol
LogP2.71
Rot. Bonds4

About 4-[2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine

4-[2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine (PubChem CID 131669080) has the molecular formula C20H26N6OS and a molecular weight of 398.54 g/mol. Its IUPAC name is 4-[2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine.

Molecular Properties

Compound Name4-[2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine
PubChem CID131669080
Molecular FormulaC20H26N6OS
Molecular Weight398.54 g/mol
Exact Mass398.19
IUPAC Name4-[2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine
SMILESCc1ncsc1CN1CCCC(c2nc3ccc(N4CCOCC4)cn3n2)C1
InChIInChI=1S/C20H26N6OS/c1-15-18(28-14-21-15)13-24-6-2-3-16(11-24)20-22-19-5-4-17(12-26(19)23-20)25-7-9-27-10-8-25/h4-5,12,14,16H,2-3,6-11,13H2,1H3
InChIKeyVBGXMNKLVHDGRR-UHFFFAOYSA-N
XLogP2.71
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.54
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine?
The IUPAC name of 4-[2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine (CID 131669080) is 4-[2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine.
What is the SMILES notation for 4-[2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine?
The canonical SMILES for 4-[2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine is Cc1ncsc1CN1CCCC(c2nc3ccc(N4CCOCC4)cn3n2)C1.
What is the InChIKey of 4-[2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine?
The InChIKey is VBGXMNKLVHDGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6OS/c1-15-18(28-14-21-15)13-24-6-2-3-16(11-24)20-22-19-5-4-17(12-26(19)23-20)25-7-9-27-10-8-25/h4-5,12,14,16H,2-3,6-11,13H2,1H3.
What are the key properties of 4-[2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine?
4-[2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine has a molecular weight of 398.54 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine is sourced from PubChem (CID 131669080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).