[3-(1,3-thiazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride

C7H9ClN4OS — CID 175913264

IUPAC[3-(1,3-thiazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1nc(Cc2nccs2)no1
InChIInChI=1S/C7H8N4OS.ClH/c8-4-6-10-5(11-12-6)3-7-9-1-2-13-7;/h1-2H,3-4,8H2;1H
InChIKeySJOSXWZDJRLJJQ-UHFFFAOYSA-N
MW232.70 g/mol
LogP1.00
Rot. Bonds3

About [3-(1,3-thiazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride

[3-(1,3-thiazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (PubChem CID 175913264) has the molecular formula C7H9ClN4OS and a molecular weight of 232.70 g/mol. Its IUPAC name is [3-(1,3-thiazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-(1,3-thiazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
PubChem CID175913264
Molecular FormulaC7H9ClN4OS
Molecular Weight232.70 g/mol
Exact Mass232.02
IUPAC Name[3-(1,3-thiazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1nc(Cc2nccs2)no1
InChIInChI=1S/C7H8N4OS.ClH/c8-4-6-10-5(11-12-6)3-7-9-1-2-13-7;/h1-2H,3-4,8H2;1H
InChIKeySJOSXWZDJRLJJQ-UHFFFAOYSA-N
XLogP1.00
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.70
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(1,3-thiazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The IUPAC name of [3-(1,3-thiazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (CID 175913264) is [3-(1,3-thiazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-(1,3-thiazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for [3-(1,3-thiazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is Cl.NCc1nc(Cc2nccs2)no1.
What is the InChIKey of [3-(1,3-thiazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The InChIKey is SJOSXWZDJRLJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS.ClH/c8-4-6-10-5(11-12-6)3-7-9-1-2-13-7;/h1-2H,3-4,8H2;1H.
What are the key properties of [3-(1,3-thiazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
[3-(1,3-thiazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride has a molecular weight of 232.70 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-thiazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is sourced from PubChem (CID 175913264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).