3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine

C14H25N5S — CID 65270342

IUPAC3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C14H25N5S/c1-2-12(5-6-15)18-7-9-19(10-8-18)14-16-13(17-20-14)11-3-4-11/h11-12H,2-10,15H2,1H3
InChIKeyLGWSJABXYJLTSN-UHFFFAOYSA-N
MW295.46 g/mol
LogP1.66
Rot. Bonds6

About 3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine

3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine (PubChem CID 65270342) has the molecular formula C14H25N5S and a molecular weight of 295.46 g/mol. Its IUPAC name is 3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine
PubChem CID65270342
Molecular FormulaC14H25N5S
Molecular Weight295.46 g/mol
Exact Mass295.18
IUPAC Name3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C14H25N5S/c1-2-12(5-6-15)18-7-9-19(10-8-18)14-16-13(17-20-14)11-3-4-11/h11-12H,2-10,15H2,1H3
InChIKeyLGWSJABXYJLTSN-UHFFFAOYSA-N
XLogP1.66
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.46
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-3-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-1,2,4-thiadiazol-5-amine
CID 89752770
3-methyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65267689
3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65276447
3-Cyclopropyl-5-(4-cyclopropylpiperazin-1-yl)-1,2,4-thiadiazole
CID 71925333
1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
CID 58397876
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperazine
CID 53403990
3-cyclopropyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-thiadiazol-5-amine
CID 65472416
3-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxamide
CID 75520974
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 97594400
(3S)-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxamide
CID 97823064
3-Cyclopropyl-5-[4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]-1,2,4-thiadiazole
CID 75437319
3-cyclopropyl-5-[(3R)-4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]-1,2,4-thiadiazole
CID 97330538

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine?
The IUPAC name of 3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine (CID 65270342) is 3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine is CCC(CCN)N1CCN(c2nc(C3CC3)ns2)CC1.
What is the InChIKey of 3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine?
The InChIKey is LGWSJABXYJLTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5S/c1-2-12(5-6-15)18-7-9-19(10-8-18)14-16-13(17-20-14)11-3-4-11/h11-12H,2-10,15H2,1H3.
What are the key properties of 3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine?
3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine has a molecular weight of 295.46 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 65270342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).