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

C13H23N5S — CID 65272318

IUPAC2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCC(C)(CN)N1CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C13H23N5S/c1-13(2,9-14)18-7-5-17(6-8-18)12-15-11(16-19-12)10-3-4-10/h10H,3-9,14H2,1-2H3
InChIKeyUKDMIIAHTGDHTP-UHFFFAOYSA-N
MW281.43 g/mol
LogP1.27
Rot. Bonds4

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

2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpropan-1-amine (PubChem CID 65272318) has the molecular formula C13H23N5S and a molecular weight of 281.43 g/mol. Its IUPAC name is 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpropan-1-amine
PubChem CID65272318
Molecular FormulaC13H23N5S
Molecular Weight281.43 g/mol
Exact Mass281.17
IUPAC Name2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCC(C)(CN)N1CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C13H23N5S/c1-13(2,9-14)18-7-5-17(6-8-18)12-15-11(16-19-12)10-3-4-10/h10H,3-9,14H2,1-2H3
InChIKeyUKDMIIAHTGDHTP-UHFFFAOYSA-N
XLogP1.27
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpropan-1-amine?
The IUPAC name of 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpropan-1-amine (CID 65272318) is 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpropan-1-amine is CC(C)(CN)N1CCN(c2nc(C3CC3)ns2)CC1.
What is the InChIKey of 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpropan-1-amine?
The InChIKey is UKDMIIAHTGDHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5S/c1-13(2,9-14)18-7-5-17(6-8-18)12-15-11(16-19-12)10-3-4-10/h10H,3-9,14H2,1-2H3.
What are the key properties of 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpropan-1-amine?
2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpropan-1-amine has a molecular weight of 281.43 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 65272318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).