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

C14H19N5OS — CID 146040653

IUPAC5-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(N2CCN(CCOc3ccccc3)CC2)s1
InChIInChI=1S/C14H19N5OS/c15-13-16-17-14(21-13)19-8-6-18(7-9-19)10-11-20-12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,15,16)
InChIKeyRLLJMDOGBMNJCX-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.32
Rot. Bonds5

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

5-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 146040653) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 5-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine
PubChem CID146040653
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name5-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(N2CCN(CCOc3ccccc3)CC2)s1
InChIInChI=1S/C14H19N5OS/c15-13-16-17-14(21-13)19-8-6-18(7-9-19)10-11-20-12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,15,16)
InChIKeyRLLJMDOGBMNJCX-UHFFFAOYSA-N
XLogP1.32
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine (CID 146040653) is 5-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine is Nc1nnc(N2CCN(CCOc3ccccc3)CC2)s1.
What is the InChIKey of 5-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is RLLJMDOGBMNJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c15-13-16-17-14(21-13)19-8-6-18(7-9-19)10-11-20-12-4-2-1-3-5-12/h1-5H,6-11H2,(H2,15,16).
What are the key properties of 5-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine?
5-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 305.41 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 146040653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).