4-methyl-5-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-2-propan-2-yl-1,3-thiazole

C16H25N5S — CID 72918262

IUPAC4-methyl-5-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-2-propan-2-yl-1,3-thiazole
SMILESCc1nc(-c2sc(C(C)C)nc2C)n(C2CCN(C)CC2)n1
InChIInChI=1S/C16H25N5S/c1-10(2)16-17-11(3)14(22-16)15-18-12(4)19-21(15)13-6-8-20(5)9-7-13/h10,13H,6-9H2,1-5H3
InChIKeyGWJYARBILLIASG-UHFFFAOYSA-N
MW319.48 g/mol
LogP3.41
Rot. Bonds3

About 4-methyl-5-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-2-propan-2-yl-1,3-thiazole

4-methyl-5-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-2-propan-2-yl-1,3-thiazole (PubChem CID 72918262) has the molecular formula C16H25N5S and a molecular weight of 319.48 g/mol. Its IUPAC name is 4-methyl-5-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-2-propan-2-yl-1,3-thiazole
PubChem CID72918262
Molecular FormulaC16H25N5S
Molecular Weight319.48 g/mol
Exact Mass319.18
IUPAC Name4-methyl-5-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-2-propan-2-yl-1,3-thiazole
SMILESCc1nc(-c2sc(C(C)C)nc2C)n(C2CCN(C)CC2)n1
InChIInChI=1S/C16H25N5S/c1-10(2)16-17-11(3)14(22-16)15-18-12(4)19-21(15)13-6-8-20(5)9-7-13/h10,13H,6-9H2,1-5H3
InChIKeyGWJYARBILLIASG-UHFFFAOYSA-N
XLogP3.41
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.48
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-methyl-5-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-2-propan-2-yl-1,3-thiazole (CID 72918262) is 4-methyl-5-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-2-propan-2-yl-1,3-thiazole is Cc1nc(-c2sc(C(C)C)nc2C)n(C2CCN(C)CC2)n1.
What is the InChIKey of 4-methyl-5-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-2-propan-2-yl-1,3-thiazole?
The InChIKey is GWJYARBILLIASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5S/c1-10(2)16-17-11(3)14(22-16)15-18-12(4)19-21(15)13-6-8-20(5)9-7-13/h10,13H,6-9H2,1-5H3.
What are the key properties of 4-methyl-5-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-2-propan-2-yl-1,3-thiazole?
4-methyl-5-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-2-propan-2-yl-1,3-thiazole has a molecular weight of 319.48 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 72918262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).