4-[5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine

C19H25N7OS — CID 118479686

IUPAC4-[5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine
SMILESCc1cc(C2CCCN(Cc3cnc(N4CCOCC4)s3)C2)n2ncnc2n1
InChIInChI=1S/C19H25N7OS/c1-14-9-17(26-18(23-14)21-13-22-26)15-3-2-4-24(11-15)12-16-10-20-19(28-16)25-5-7-27-8-6-25/h9-10,13,15H,2-8,11-12H2,1H3
InChIKeySPCCNXQJNZLSGB-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.11
Rot. Bonds4

About 4-[5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine

4-[5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine (PubChem CID 118479686) has the molecular formula C19H25N7OS and a molecular weight of 399.52 g/mol. Its IUPAC name is 4-[5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine
PubChem CID118479686
Molecular FormulaC19H25N7OS
Molecular Weight399.52 g/mol
Exact Mass399.18
IUPAC Name4-[5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine
SMILESCc1cc(C2CCCN(Cc3cnc(N4CCOCC4)s3)C2)n2ncnc2n1
InChIInChI=1S/C19H25N7OS/c1-14-9-17(26-18(23-14)21-13-22-26)15-3-2-4-24(11-15)12-16-10-20-19(28-16)25-5-7-27-8-6-25/h9-10,13,15H,2-8,11-12H2,1H3
InChIKeySPCCNXQJNZLSGB-UHFFFAOYSA-N
XLogP2.11
TPSA71.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine (CID 118479686) is 4-[5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine is Cc1cc(C2CCCN(Cc3cnc(N4CCOCC4)s3)C2)n2ncnc2n1.
What is the InChIKey of 4-[5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine?
The InChIKey is SPCCNXQJNZLSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7OS/c1-14-9-17(26-18(23-14)21-13-22-26)15-3-2-4-24(11-15)12-16-10-20-19(28-16)25-5-7-27-8-6-25/h9-10,13,15H,2-8,11-12H2,1H3.
What are the key properties of 4-[5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine?
4-[5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine has a molecular weight of 399.52 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 118479686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).