(5-ethyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride

C5H10ClN3S — CID 50998533

IUPAC(5-ethyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride
SMILESCCc1nnc(CN)s1.Cl
InChIInChI=1S/C5H9N3S.ClH/c1-2-4-7-8-5(3-6)9-4;/h2-3,6H2,1H3;1H
InChIKeyRPAUQWMGQNPJIA-UHFFFAOYSA-N
MW179.68 g/mol
LogP0.98
Rot. Bonds2

About (5-ethyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride

(5-ethyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride (PubChem CID 50998533) has the molecular formula C5H10ClN3S and a molecular weight of 179.68 g/mol. Its IUPAC name is (5-ethyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-ethyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride
PubChem CID50998533
Molecular FormulaC5H10ClN3S
Molecular Weight179.68 g/mol
Exact Mass179.03
IUPAC Name(5-ethyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride
SMILESCCc1nnc(CN)s1.Cl
InChIInChI=1S/C5H9N3S.ClH/c1-2-4-7-8-5(3-6)9-4;/h2-3,6H2,1H3;1H
InChIKeyRPAUQWMGQNPJIA-UHFFFAOYSA-N
XLogP0.98
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.68
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride?
The IUPAC name of (5-ethyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride (CID 50998533) is (5-ethyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-ethyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride?
The canonical SMILES for (5-ethyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride is CCc1nnc(CN)s1.Cl.
What is the InChIKey of (5-ethyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride?
The InChIKey is RPAUQWMGQNPJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S.ClH/c1-2-4-7-8-5(3-6)9-4;/h2-3,6H2,1H3;1H.
What are the key properties of (5-ethyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride?
(5-ethyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride has a molecular weight of 179.68 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 50998533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).