3-cyclopropyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,2,4-thiadiazole

C15H19N5S — CID 171334111

IUPAC3-cyclopropyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESc1cncc(CN2CCN(c3nc(C4CC4)ns3)CC2)c1
InChIInChI=1S/C15H19N5S/c1-2-12(10-16-5-1)11-19-6-8-20(9-7-19)15-17-14(18-21-15)13-3-4-13/h1-2,5,10,13H,3-4,6-9,11H2
InChIKeyBBZUVZFTWUREFU-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.13
Rot. Bonds4

About 3-cyclopropyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,2,4-thiadiazole

3-cyclopropyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,2,4-thiadiazole (PubChem CID 171334111) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is 3-cyclopropyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,2,4-thiadiazole
PubChem CID171334111
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC Name3-cyclopropyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,2,4-thiadiazole
SMILESc1cncc(CN2CCN(c3nc(C4CC4)ns3)CC2)c1
InChIInChI=1S/C15H19N5S/c1-2-12(10-16-5-1)11-19-6-8-20(9-7-19)15-17-14(18-21-15)13-3-4-13/h1-2,5,10,13H,3-4,6-9,11H2
InChIKeyBBZUVZFTWUREFU-UHFFFAOYSA-N
XLogP2.13
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
2-benzyl-6-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridazin-3-one
CID 163350619
6-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 35417968
1-(3-chloro-4-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine
CID 133351662
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride
CID 17245035
2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxaline
CID 33378276
2-cyclopropyl-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172900331
1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde
CID 42556102
3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
CID 16674606
3-cyclopropyl-5-[4-(2-cyclopropyl-6-ethylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 154829111
1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine
CID 770178

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,2,4-thiadiazole (CID 171334111) is 3-cyclopropyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,2,4-thiadiazole is c1cncc(CN2CCN(c3nc(C4CC4)ns3)CC2)c1.
What is the InChIKey of 3-cyclopropyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,2,4-thiadiazole?
The InChIKey is BBZUVZFTWUREFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S/c1-2-12(10-16-5-1)11-19-6-8-20(9-7-19)15-17-14(18-21-15)13-3-4-13/h1-2,5,10,13H,3-4,6-9,11H2.
What are the key properties of 3-cyclopropyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,2,4-thiadiazole?
3-cyclopropyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,2,4-thiadiazole has a molecular weight of 301.42 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 171334111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).