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

C20H25N5S — CID 72924343

IUPAC5-[2-benzyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1-c1nc(CC2CCN(C)CC2)nn1Cc1ccccc1
InChIInChI=1S/C20H25N5S/c1-15-19(26-14-21-15)20-22-18(12-16-8-10-24(2)11-9-16)23-25(20)13-17-6-4-3-5-7-17/h3-7,14,16H,8-13H2,1-2H3
InChIKeyWEUZZWNQSMTIEK-UHFFFAOYSA-N
MW367.52 g/mol
LogP3.64
Rot. Bonds5

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

5-[2-benzyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole (PubChem CID 72924343) has the molecular formula C20H25N5S and a molecular weight of 367.52 g/mol. Its IUPAC name is 5-[2-benzyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-benzyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole
PubChem CID72924343
Molecular FormulaC20H25N5S
Molecular Weight367.52 g/mol
Exact Mass367.18
IUPAC Name5-[2-benzyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1-c1nc(CC2CCN(C)CC2)nn1Cc1ccccc1
InChIInChI=1S/C20H25N5S/c1-15-19(26-14-21-15)20-22-18(12-16-8-10-24(2)11-9-16)23-25(20)13-17-6-4-3-5-7-17/h3-7,14,16H,8-13H2,1-2H3
InChIKeyWEUZZWNQSMTIEK-UHFFFAOYSA-N
XLogP3.64
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-benzyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[2-benzyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole (CID 72924343) is 5-[2-benzyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[2-benzyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[2-benzyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole is Cc1ncsc1-c1nc(CC2CCN(C)CC2)nn1Cc1ccccc1.
What is the InChIKey of 5-[2-benzyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole?
The InChIKey is WEUZZWNQSMTIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5S/c1-15-19(26-14-21-15)20-22-18(12-16-8-10-24(2)11-9-16)23-25(20)13-17-6-4-3-5-7-17/h3-7,14,16H,8-13H2,1-2H3.
What are the key properties of 5-[2-benzyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole?
5-[2-benzyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole has a molecular weight of 367.52 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-benzyl-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 72924343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).