N-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride

C11H19ClN2OS — CID 120558388

IUPACN-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
SMILESCCNCc1nc(C2CCOCC2)cs1.Cl
InChIInChI=1S/C11H18N2OS.ClH/c1-2-12-7-11-13-10(8-15-11)9-3-5-14-6-4-9;/h8-9,12H,2-7H2,1H3;1H
InChIKeyKWBVFDPIWSSOEN-UHFFFAOYSA-N
MW262.81 g/mol
LogP2.57
Rot. Bonds4

About N-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride

N-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride (PubChem CID 120558388) has the molecular formula C11H19ClN2OS and a molecular weight of 262.81 g/mol. Its IUPAC name is N-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
PubChem CID120558388
Molecular FormulaC11H19ClN2OS
Molecular Weight262.81 g/mol
Exact Mass262.09
IUPAC NameN-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
SMILESCCNCc1nc(C2CCOCC2)cs1.Cl
InChIInChI=1S/C11H18N2OS.ClH/c1-2-12-7-11-13-10(8-15-11)9-3-5-14-6-4-9;/h8-9,12H,2-7H2,1H3;1H
InChIKeyKWBVFDPIWSSOEN-UHFFFAOYSA-N
XLogP2.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.81
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride?
The IUPAC name of N-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride (CID 120558388) is N-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride is CCNCc1nc(C2CCOCC2)cs1.Cl.
What is the InChIKey of N-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride?
The InChIKey is KWBVFDPIWSSOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS.ClH/c1-2-12-7-11-13-10(8-15-11)9-3-5-14-6-4-9;/h8-9,12H,2-7H2,1H3;1H.
What are the key properties of N-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride?
N-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride has a molecular weight of 262.81 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 120558388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).