(4-benzylpiperidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone

C16H19N3OS — CID 71807116

IUPAC(4-benzylpiperidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone
SMILESCc1nsc(C(=O)N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C16H19N3OS/c1-12-17-15(21-18-12)16(20)19-9-7-14(8-10-19)11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3
InChIKeyWVBLHVTZRWTTMC-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.94
Rot. Bonds3

About (4-benzylpiperidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone

(4-benzylpiperidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone (PubChem CID 71807116) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone
PubChem CID71807116
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name(4-benzylpiperidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone
SMILESCc1nsc(C(=O)N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C16H19N3OS/c1-12-17-15(21-18-12)16(20)19-9-7-14(8-10-19)11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3
InChIKeyWVBLHVTZRWTTMC-UHFFFAOYSA-N
XLogP2.94
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807178
(3,4-dihydroisoquinolin-2(1H)-yl)(3-methyl-1,2,4-thiadiazol-5-yl)methanone
CID 71807125
3-methyl-N-phenethyl-1,2,4-thiadiazole-5-carboxamide
CID 71807156
3-methyl-N-(3-phenylpropyl)-1,2,4-thiadiazole-5-carboxamide
CID 71807159
N-[(4-fluorophenyl)methyl]-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide
CID 71983386
1-(4-Benzylpiperidin-1-yl)-2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]ethanone
CID 5134364
1-[4-[3-[(4-Fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-3-methylbutan-1-one
CID 8090426
1-[4-[[5-(Dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 71852852
1-[4-[3-[(4-Fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-3-phenylprop-2-yn-1-one
CID 11538718
4-(2-fluorobenzyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46993797
4-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46994450
1-[(4-Fluorophenyl)methyl]-5-imino-4-(3-methyl-1,2,4-thiadiazole-5-carboximidoyl)piperazin-2-one
CID 155227288

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone (CID 71807116) is (4-benzylpiperidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone is Cc1nsc(C(=O)N2CCC(Cc3ccccc3)CC2)n1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone?
The InChIKey is WVBLHVTZRWTTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-12-17-15(21-18-12)16(20)19-9-7-14(8-10-19)11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3.
What are the key properties of (4-benzylpiperidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone?
(4-benzylpiperidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone has a molecular weight of 301.42 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone is sourced from PubChem (CID 71807116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).