1-(4-propylthiadiazol-5-yl)ethanamine;hydrochloride

C7H14ClN3S — CID 155943992

IUPAC1-(4-propylthiadiazol-5-yl)ethanamine;hydrochloride
SMILESCCCc1nnsc1C(C)N.Cl
InChIInChI=1S/C7H13N3S.ClH/c1-3-4-6-7(5(2)8)11-10-9-6;/h5H,3-4,8H2,1-2H3;1H
InChIKeyZEUUVZMWPYGQJF-UHFFFAOYSA-N
MW207.73 g/mol
LogP1.93
Rot. Bonds3

About 1-(4-propylthiadiazol-5-yl)ethanamine;hydrochloride

1-(4-propylthiadiazol-5-yl)ethanamine;hydrochloride (PubChem CID 155943992) has the molecular formula C7H14ClN3S and a molecular weight of 207.73 g/mol. Its IUPAC name is 1-(4-propylthiadiazol-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-propylthiadiazol-5-yl)ethanamine;hydrochloride
PubChem CID155943992
Molecular FormulaC7H14ClN3S
Molecular Weight207.73 g/mol
Exact Mass207.06
IUPAC Name1-(4-propylthiadiazol-5-yl)ethanamine;hydrochloride
SMILESCCCc1nnsc1C(C)N.Cl
InChIInChI=1S/C7H13N3S.ClH/c1-3-4-6-7(5(2)8)11-10-9-6;/h5H,3-4,8H2,1-2H3;1H
InChIKeyZEUUVZMWPYGQJF-UHFFFAOYSA-N
XLogP1.93
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.73
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propylthiadiazol-5-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(4-propylthiadiazol-5-yl)ethanamine;hydrochloride (CID 155943992) is 1-(4-propylthiadiazol-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(4-propylthiadiazol-5-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(4-propylthiadiazol-5-yl)ethanamine;hydrochloride is CCCc1nnsc1C(C)N.Cl.
What is the InChIKey of 1-(4-propylthiadiazol-5-yl)ethanamine;hydrochloride?
The InChIKey is ZEUUVZMWPYGQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S.ClH/c1-3-4-6-7(5(2)8)11-10-9-6;/h5H,3-4,8H2,1-2H3;1H.
What are the key properties of 1-(4-propylthiadiazol-5-yl)ethanamine;hydrochloride?
1-(4-propylthiadiazol-5-yl)ethanamine;hydrochloride has a molecular weight of 207.73 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylthiadiazol-5-yl)ethanamine;hydrochloride is sourced from PubChem (CID 155943992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).