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

C19H25N7S — CID 118472381

IUPAC5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
SMILESCc1cc(C2CCCN(Cc3cnc(N4CCCC4)s3)C2)n2ncnc2n1
InChIInChI=1S/C19H25N7S/c1-14-9-17(26-18(23-14)21-13-22-26)15-5-4-6-24(11-15)12-16-10-20-19(27-16)25-7-2-3-8-25/h9-10,13,15H,2-8,11-12H2,1H3
InChIKeyZEEQTJWOFOBJPY-UHFFFAOYSA-N
MW383.53 g/mol
LogP2.87
Rot. Bonds4

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

5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole (PubChem CID 118472381) has the molecular formula C19H25N7S and a molecular weight of 383.53 g/mol. Its IUPAC name is 5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
PubChem CID118472381
Molecular FormulaC19H25N7S
Molecular Weight383.53 g/mol
Exact Mass383.19
IUPAC Name5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
SMILESCc1cc(C2CCCN(Cc3cnc(N4CCCC4)s3)C2)n2ncnc2n1
InChIInChI=1S/C19H25N7S/c1-14-9-17(26-18(23-14)21-13-22-26)15-5-4-6-24(11-15)12-16-10-20-19(27-16)25-7-2-3-8-25/h9-10,13,15H,2-8,11-12H2,1H3
InChIKeyZEEQTJWOFOBJPY-UHFFFAOYSA-N
XLogP2.87
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole with MolForge

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Related Compounds

US11186582, Example 195
CID 118479637
US11186582, Example 196
CID 118479682
US11186582, Example 193
CID 118471406
US11186582, Example 205
CID 118472347
US11186582, Example 147
CID 118472545
US11186582, Example 109
CID 118472600
US11186582, Example 201
CID 126615658
4-[[4-(2-Methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 51104366
US11186582, Example 199
CID 118470986
US11186582, Example 119
CID 118471377
US11186582, Example 194
CID 118472481
US11186582, Example 123
CID 118472611

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole?
The IUPAC name of 5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole (CID 118472381) is 5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole.
What is the SMILES notation for 5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole?
The canonical SMILES for 5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole is Cc1cc(C2CCCN(Cc3cnc(N4CCCC4)s3)C2)n2ncnc2n1.
What is the InChIKey of 5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole?
The InChIKey is ZEEQTJWOFOBJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7S/c1-14-9-17(26-18(23-14)21-13-22-26)15-5-4-6-24(11-15)12-16-10-20-19(27-16)25-7-2-3-8-25/h9-10,13,15H,2-8,11-12H2,1H3.
What are the key properties of 5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole?
5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole has a molecular weight of 383.53 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole is sourced from PubChem (CID 118472381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).