2-cyclopropyl-5-(piperazin-1-ylmethyl)-1,3,4-thiadiazole

C10H16N4S — CID 82287425

IUPAC2-cyclopropyl-5-(piperazin-1-ylmethyl)-1,3,4-thiadiazole
SMILESC1CN(Cc2nnc(C3CC3)s2)CCN1
InChIInChI=1S/C10H16N4S/c1-2-8(1)10-13-12-9(15-10)7-14-5-3-11-4-6-14/h8,11H,1-7H2
InChIKeyKFPSALPTBYYAIO-UHFFFAOYSA-N
MW224.33 g/mol
LogP0.82
Rot. Bonds3

About 2-cyclopropyl-5-(piperazin-1-ylmethyl)-1,3,4-thiadiazole

2-cyclopropyl-5-(piperazin-1-ylmethyl)-1,3,4-thiadiazole (PubChem CID 82287425) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-cyclopropyl-5-(piperazin-1-ylmethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-(piperazin-1-ylmethyl)-1,3,4-thiadiazole
PubChem CID82287425
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name2-cyclopropyl-5-(piperazin-1-ylmethyl)-1,3,4-thiadiazole
SMILESC1CN(Cc2nnc(C3CC3)s2)CCN1
InChIInChI=1S/C10H16N4S/c1-2-8(1)10-13-12-9(15-10)7-14-5-3-11-4-6-14/h8,11H,1-7H2
InChIKeyKFPSALPTBYYAIO-UHFFFAOYSA-N
XLogP0.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126890598
2-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-benzothiazole
CID 117436564
2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,3,4-thiadiazole
CID 126901437
2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole
CID 126894384
6-tert-butyl-2-[2-[4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126914140
2-(azetidin-3-yl)-5-cyclopropyl-1,3,4-thiadiazole
CID 105439666
2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3-thiazole
CID 120833610
2-cyclopropyl-5-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,3,4-thiadiazole
CID 126894790
3-methyl-6-(piperazin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 82476945
2-cyclopropyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 96900907
5-piperidin-4-yl-1,3,4-thiadiazole-2-carboxylic acid
CID 83886040
3-(oxolan-2-yl)-6-(piperazin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114353853

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(piperazin-1-ylmethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-cyclopropyl-5-(piperazin-1-ylmethyl)-1,3,4-thiadiazole (CID 82287425) is 2-cyclopropyl-5-(piperazin-1-ylmethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclopropyl-5-(piperazin-1-ylmethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclopropyl-5-(piperazin-1-ylmethyl)-1,3,4-thiadiazole is C1CN(Cc2nnc(C3CC3)s2)CCN1.
What is the InChIKey of 2-cyclopropyl-5-(piperazin-1-ylmethyl)-1,3,4-thiadiazole?
The InChIKey is KFPSALPTBYYAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-2-8(1)10-13-12-9(15-10)7-14-5-3-11-4-6-14/h8,11H,1-7H2.
What are the key properties of 2-cyclopropyl-5-(piperazin-1-ylmethyl)-1,3,4-thiadiazole?
2-cyclopropyl-5-(piperazin-1-ylmethyl)-1,3,4-thiadiazole has a molecular weight of 224.33 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(piperazin-1-ylmethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 82287425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).