4-[(4-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine

C9H17N5S — CID 62178576

IUPAC4-[(4-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine
SMILESCCN1CCN(Cc2nnsc2N)CC1
InChIInChI=1S/C9H17N5S/c1-2-13-3-5-14(6-4-13)7-8-9(10)15-12-11-8/h2-7,10H2,1H3
InChIKeyWTSQJQCHKWPHFI-UHFFFAOYSA-N
MW227.34 g/mol
LogP0.26
Rot. Bonds3

About 4-[(4-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine

4-[(4-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine (PubChem CID 62178576) has the molecular formula C9H17N5S and a molecular weight of 227.34 g/mol. Its IUPAC name is 4-[(4-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[(4-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine
PubChem CID62178576
Molecular FormulaC9H17N5S
Molecular Weight227.34 g/mol
Exact Mass227.12
IUPAC Name4-[(4-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine
SMILESCCN1CCN(Cc2nnsc2N)CC1
InChIInChI=1S/C9H17N5S/c1-2-13-3-5-14(6-4-13)7-8-9(10)15-12-11-8/h2-7,10H2,1H3
InChIKeyWTSQJQCHKWPHFI-UHFFFAOYSA-N
XLogP0.26
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.34
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine?
The IUPAC name of 4-[(4-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine (CID 62178576) is 4-[(4-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[(4-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[(4-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine is CCN1CCN(Cc2nnsc2N)CC1.
What is the InChIKey of 4-[(4-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine?
The InChIKey is WTSQJQCHKWPHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5S/c1-2-13-3-5-14(6-4-13)7-8-9(10)15-12-11-8/h2-7,10H2,1H3.
What are the key properties of 4-[(4-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine?
4-[(4-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine has a molecular weight of 227.34 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylpiperazin-1-yl)methyl]thiadiazol-5-amine is sourced from PubChem (CID 62178576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).