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

C16H20N6S — CID 118472481

IUPAC2-methyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cc(C2CCCN(Cc3cnc(C)s3)C2)n2ncnc2n1
InChIInChI=1S/C16H20N6S/c1-11-6-15(22-16(20-11)18-10-19-22)13-4-3-5-21(8-13)9-14-7-17-12(2)23-14/h6-7,10,13H,3-5,8-9H2,1-2H3
InChIKeyVRBFWXAGVCESNZ-UHFFFAOYSA-N
MW328.45 g/mol
LogP2.58
Rot. Bonds3

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

2-methyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 118472481) has the molecular formula C16H20N6S and a molecular weight of 328.45 g/mol. Its IUPAC name is 2-methyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID118472481
Molecular FormulaC16H20N6S
Molecular Weight328.45 g/mol
Exact Mass328.15
IUPAC Name2-methyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cc(C2CCCN(Cc3cnc(C)s3)C2)n2ncnc2n1
InChIInChI=1S/C16H20N6S/c1-11-6-15(22-16(20-11)18-10-19-22)13-4-3-5-21(8-13)9-14-7-17-12(2)23-14/h6-7,10,13H,3-5,8-9H2,1-2H3
InChIKeyVRBFWXAGVCESNZ-UHFFFAOYSA-N
XLogP2.58
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

US11186582, Example 195
CID 118479637
US11186582, Example 196
CID 118479682
2-(4-Butylphenyl)-4-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-1,3-thiazole
CID 127043107
US11186582, Example 193
CID 118471406
US11186582, Example 205
CID 118472347
US11186582, Example 202
CID 118472381
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole (CID 118472481) is 2-methyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole is Cc1cc(C2CCCN(Cc3cnc(C)s3)C2)n2ncnc2n1.
What is the InChIKey of 2-methyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is VRBFWXAGVCESNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6S/c1-11-6-15(22-16(20-11)18-10-19-22)13-4-3-5-21(8-13)9-14-7-17-12(2)23-14/h6-7,10,13H,3-5,8-9H2,1-2H3.
What are the key properties of 2-methyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole?
2-methyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 328.45 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 118472481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).