5-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine;hydrochloride

C8H13ClN2OS — CID 136574237

IUPAC5-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CC2CCOC2)s1
InChIInChI=1S/C8H12N2OS.ClH/c9-8-10-4-7(12-8)3-6-1-2-11-5-6;/h4,6H,1-3,5H2,(H2,9,10);1H
InChIKeyGZCSLHWIZWGGHV-UHFFFAOYSA-N
MW220.72 g/mol
LogP1.73
Rot. Bonds2

About 5-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine;hydrochloride

5-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine;hydrochloride (PubChem CID 136574237) has the molecular formula C8H13ClN2OS and a molecular weight of 220.72 g/mol. Its IUPAC name is 5-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine;hydrochloride
PubChem CID136574237
Molecular FormulaC8H13ClN2OS
Molecular Weight220.72 g/mol
Exact Mass220.04
IUPAC Name5-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CC2CCOC2)s1
InChIInChI=1S/C8H12N2OS.ClH/c9-8-10-4-7(12-8)3-6-1-2-11-5-6;/h4,6H,1-3,5H2,(H2,9,10);1H
InChIKeyGZCSLHWIZWGGHV-UHFFFAOYSA-N
XLogP1.73
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.72
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine;hydrochloride (CID 136574237) is 5-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine;hydrochloride is Cl.Nc1ncc(CC2CCOC2)s1.
What is the InChIKey of 5-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is GZCSLHWIZWGGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS.ClH/c9-8-10-4-7(12-8)3-6-1-2-11-5-6;/h4,6H,1-3,5H2,(H2,9,10);1H.
What are the key properties of 5-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine;hydrochloride?
5-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 220.72 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 136574237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).