2-benzyl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3,4-thiadiazole

C19H24N6S — CID 133452049

IUPAC2-benzyl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3,4-thiadiazole
SMILESCC(C)n1cnnc1C1CCN(c2nnc(Cc3ccccc3)s2)CC1
InChIInChI=1S/C19H24N6S/c1-14(2)25-13-20-22-18(25)16-8-10-24(11-9-16)19-23-21-17(26-19)12-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3
InChIKeyWAGHKQHCGAQTDD-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.69
Rot. Bonds5

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

2-benzyl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3,4-thiadiazole (PubChem CID 133452049) has the molecular formula C19H24N6S and a molecular weight of 368.51 g/mol. Its IUPAC name is 2-benzyl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-benzyl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3,4-thiadiazole
PubChem CID133452049
Molecular FormulaC19H24N6S
Molecular Weight368.51 g/mol
Exact Mass368.18
IUPAC Name2-benzyl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3,4-thiadiazole
SMILESCC(C)n1cnnc1C1CCN(c2nnc(Cc3ccccc3)s2)CC1
InChIInChI=1S/C19H24N6S/c1-14(2)25-13-20-22-18(25)16-8-10-24(11-9-16)19-23-21-17(26-19)12-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3
InChIKeyWAGHKQHCGAQTDD-UHFFFAOYSA-N
XLogP3.69
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyclobutyl-4-propan-2-yl-1,2,4-triazole
CID 115393971
[1-(5-benzyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 133451403
2-benzyl-5-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,3,4-thiadiazole
CID 133452104
1-(5-phenyl-1,3,4-thiadiazol-2-yl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
CID 72894851
2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
CID 133448620
(4aS,8aR)-6-(5-benzyl-1,3,4-thiadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 98888317
6-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122054672
[4-(5-benzyl-1,3,4-thiadiazol-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 133499216
1-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 53192620
2-[(4-fluorophenyl)methyl]-5-(4-methylazepan-1-yl)-1,3,4-thiadiazole
CID 133456989
3-nitro-2-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine
CID 75397524
2-[(4-chlorophenyl)methyl]-5-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-1,3,4-thiadiazole
CID 133493700

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-benzyl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3,4-thiadiazole (CID 133452049) is 2-benzyl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-benzyl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-benzyl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3,4-thiadiazole is CC(C)n1cnnc1C1CCN(c2nnc(Cc3ccccc3)s2)CC1.
What is the InChIKey of 2-benzyl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3,4-thiadiazole?
The InChIKey is WAGHKQHCGAQTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6S/c1-14(2)25-13-20-22-18(25)16-8-10-24(11-9-16)19-23-21-17(26-19)12-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3.
What are the key properties of 2-benzyl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3,4-thiadiazole?
2-benzyl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3,4-thiadiazole has a molecular weight of 368.51 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 133452049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).