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

C16H19BrN6S — CID 118472347

IUPAC5-bromo-4-methyl-2-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cc(C2CCCN(Cc3nc(C)c(Br)s3)C2)n2ncnc2n1
InChIInChI=1S/C16H19BrN6S/c1-10-6-13(23-16(20-10)18-9-19-23)12-4-3-5-22(7-12)8-14-21-11(2)15(17)24-14/h6,9,12H,3-5,7-8H2,1-2H3
InChIKeyOMOVOASJEKHAJK-UHFFFAOYSA-N
MW407.34 g/mol
LogP3.34
Rot. Bonds3

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

5-bromo-4-methyl-2-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 118472347) has the molecular formula C16H19BrN6S and a molecular weight of 407.34 g/mol. Its IUPAC name is 5-bromo-4-methyl-2-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-4-methyl-2-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID118472347
Molecular FormulaC16H19BrN6S
Molecular Weight407.34 g/mol
Exact Mass406.06
IUPAC Name5-bromo-4-methyl-2-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cc(C2CCCN(Cc3nc(C)c(Br)s3)C2)n2ncnc2n1
InChIInChI=1S/C16H19BrN6S/c1-10-6-13(23-16(20-10)18-9-19-23)12-4-3-5-22(7-12)8-14-21-11(2)15(17)24-14/h6,9,12H,3-5,7-8H2,1-2H3
InChIKeyOMOVOASJEKHAJK-UHFFFAOYSA-N
XLogP3.34
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-bromo-4-methyl-2-[[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 193
CID 118471406
US11186582, Example 202
CID 118472381
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 473
CID 118472511
US11186582, Example 206
CID 126615650
1-[5-[[(3S,5R)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one
CID 148906204
2-[1-(5-Ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 133387901
2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-7,9-dimethylpyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 17026186

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-2-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 5-bromo-4-methyl-2-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole (CID 118472347) is 5-bromo-4-methyl-2-[[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 5-bromo-4-methyl-2-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 5-bromo-4-methyl-2-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole is Cc1cc(C2CCCN(Cc3nc(C)c(Br)s3)C2)n2ncnc2n1.
What is the InChIKey of 5-bromo-4-methyl-2-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is OMOVOASJEKHAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN6S/c1-10-6-13(23-16(20-10)18-9-19-23)12-4-3-5-22(7-12)8-14-21-11(2)15(17)24-14/h6,9,12H,3-5,7-8H2,1-2H3.
What are the key properties of 5-bromo-4-methyl-2-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]-1,3-thiazole?
5-bromo-4-methyl-2-[[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 407.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-2-[[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 118472347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).