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

C19H23N5S — CID 91653896

IUPAC5-[[2-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1CCCCC1c1nncn1Cc1ccccc1
InChIInChI=1S/C19H23N5S/c1-15-18(25-14-20-15)12-23-10-6-5-9-17(23)19-22-21-13-24(19)11-16-7-3-2-4-8-16/h2-4,7-8,13-14,17H,5-6,9-12H2,1H3
InChIKeyKSNOZADEPHNGRR-UHFFFAOYSA-N
MW353.50 g/mol
LogP3.82
Rot. Bonds5

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

5-[[2-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole (PubChem CID 91653896) has the molecular formula C19H23N5S and a molecular weight of 353.50 g/mol. Its IUPAC name is 5-[[2-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[2-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
PubChem CID91653896
Molecular FormulaC19H23N5S
Molecular Weight353.50 g/mol
Exact Mass353.17
IUPAC Name5-[[2-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1CCCCC1c1nncn1Cc1ccccc1
InChIInChI=1S/C19H23N5S/c1-15-18(25-14-20-15)12-23-10-6-5-9-17(23)19-22-21-13-24(19)11-16-7-3-2-4-8-16/h2-4,7-8,13-14,17H,5-6,9-12H2,1H3
InChIKeyKSNOZADEPHNGRR-UHFFFAOYSA-N
XLogP3.82
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[[2-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole (CID 91653896) is 5-[[2-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[2-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[[2-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole is Cc1ncsc1CN1CCCCC1c1nncn1Cc1ccccc1.
What is the InChIKey of 5-[[2-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The InChIKey is KSNOZADEPHNGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5S/c1-15-18(25-14-20-15)12-23-10-6-5-9-17(23)19-22-21-13-24(19)11-16-7-3-2-4-8-16/h2-4,7-8,13-14,17H,5-6,9-12H2,1H3.
What are the key properties of 5-[[2-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
5-[[2-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole has a molecular weight of 353.50 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 91653896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).