[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride

C12H15ClN2OS — CID 127501309

IUPAC[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride
SMILESCc1ccc(OCc2nc(CN)cs2)cc1.Cl
InChIInChI=1S/C12H14N2OS.ClH/c1-9-2-4-11(5-3-9)15-7-12-14-10(6-13)8-16-12;/h2-5,8H,6-7,13H2,1H3;1H
InChIKeyFEHVTFSBXXCZBB-UHFFFAOYSA-N
MW270.79 g/mol
LogP2.91
Rot. Bonds4

About [2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride

[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride (PubChem CID 127501309) has the molecular formula C12H15ClN2OS and a molecular weight of 270.79 g/mol. Its IUPAC name is [2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride
PubChem CID127501309
Molecular FormulaC12H15ClN2OS
Molecular Weight270.79 g/mol
Exact Mass270.06
IUPAC Name[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride
SMILESCc1ccc(OCc2nc(CN)cs2)cc1.Cl
InChIInChI=1S/C12H14N2OS.ClH/c1-9-2-4-11(5-3-9)15-7-12-14-10(6-13)8-16-12;/h2-5,8H,6-7,13H2,1H3;1H
InChIKeyFEHVTFSBXXCZBB-UHFFFAOYSA-N
XLogP2.91
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.79
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole
CID 78998169
2-[2-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanamine
CID 28918290
N-(1-aminopropan-2-yl)-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 119583421
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
CID 28918170
[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]methanamine
CID 62330445
N-methyl-1-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 55488970
N-[1-(aminomethyl)cyclopentyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 119566811
N-[3-(methylamino)propyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119432048
2-[(4-methylphenoxy)methyl]-4-pyridin-4-yl-1,3-thiazole
CID 166360122
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylacetamide
CID 24714441
N-[2-(aminomethyl)cyclopentyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119603119
N-ethoxy-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 18169105

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride?
The IUPAC name of [2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride (CID 127501309) is [2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride?
The canonical SMILES for [2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride is Cc1ccc(OCc2nc(CN)cs2)cc1.Cl.
What is the InChIKey of [2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride?
The InChIKey is FEHVTFSBXXCZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS.ClH/c1-9-2-4-11(5-3-9)15-7-12-14-10(6-13)8-16-12;/h2-5,8H,6-7,13H2,1H3;1H.
What are the key properties of [2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride?
[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride has a molecular weight of 270.79 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 127501309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).