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

C17H20N6OS — CID 118472511

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCc1cc(C2CCCN(C(=O)c3sc(C)nc3C)C2)n2ncnc2n1
InChIInChI=1S/C17H20N6OS/c1-10-7-14(23-17(20-10)18-9-19-23)13-5-4-6-22(8-13)16(24)15-11(2)21-12(3)25-15/h7,9,13H,4-6,8H2,1-3H3
InChIKeyVSRGAYJDZGLRJL-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.53
Rot. Bonds2

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

(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (PubChem CID 118472511) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
PubChem CID118472511
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCc1cc(C2CCCN(C(=O)c3sc(C)nc3C)C2)n2ncnc2n1
InChIInChI=1S/C17H20N6OS/c1-10-7-14(23-17(20-10)18-9-19-23)13-5-4-6-22(8-13)16(24)15-11(2)21-12(3)25-15/h7,9,13H,4-6,8H2,1-3H3
InChIKeyVSRGAYJDZGLRJL-UHFFFAOYSA-N
XLogP2.53
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

US11186582, Example 205
CID 118472347
US11186582, Example 201
CID 126615658
(2-Methylpyrazolo[1,5-a]pyrimidin-3-yl)-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72124114
2-(2-Methyl-1,3-thiazol-4-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
CID 110132802
2-(2,4-Dimethyl-1,3-thiazol-5-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
CID 110132838
[3-[7-(Difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110235258
US11186582, Example 199
CID 118470986
US11186582, Example 431
CID 118471576
US11186582, Example 194
CID 118472481
US11186582, Example 206
CID 126615650
11-(2,4-Dimethyl-1,3-thiazole-5-carbonyl)-4-methyl-2,3,7,11-tetraazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7-tetraene
CID 73168957
4-Benzyl-3-[5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL]-4H-1,2,4-triazole
CID 91909469

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (CID 118472511) is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is Cc1cc(C2CCCN(C(=O)c3sc(C)nc3C)C2)n2ncnc2n1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The InChIKey is VSRGAYJDZGLRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-10-7-14(23-17(20-10)18-9-19-23)13-5-4-6-22(8-13)16(24)15-11(2)21-12(3)25-15/h7,9,13H,4-6,8H2,1-3H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone has a molecular weight of 356.46 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 118472511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).