2-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride

C7H14ClN3OS — CID 118367822

IUPAC2-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride
SMILESCOC(C)c1nnc(CCN)s1.Cl
InChIInChI=1S/C7H13N3OS.ClH/c1-5(11-2)7-10-9-6(12-7)3-4-8;/h5H,3-4,8H2,1-2H3;1H
InChIKeyYGJHRULSOCYSQO-UHFFFAOYSA-N
MW223.73 g/mol
LogP1.17
Rot. Bonds4

About 2-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride

2-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride (PubChem CID 118367822) has the molecular formula C7H14ClN3OS and a molecular weight of 223.73 g/mol. Its IUPAC name is 2-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride
PubChem CID118367822
Molecular FormulaC7H14ClN3OS
Molecular Weight223.73 g/mol
Exact Mass223.05
IUPAC Name2-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride
SMILESCOC(C)c1nnc(CCN)s1.Cl
InChIInChI=1S/C7H13N3OS.ClH/c1-5(11-2)7-10-9-6(12-7)3-4-8;/h5H,3-4,8H2,1-2H3;1H
InChIKeyYGJHRULSOCYSQO-UHFFFAOYSA-N
XLogP1.17
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.73
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride (CID 118367822) is 2-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride is COC(C)c1nnc(CCN)s1.Cl.
What is the InChIKey of 2-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride?
The InChIKey is YGJHRULSOCYSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS.ClH/c1-5(11-2)7-10-9-6(12-7)3-4-8;/h5H,3-4,8H2,1-2H3;1H.
What are the key properties of 2-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride?
2-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride has a molecular weight of 223.73 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 118367822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).