2-[4-(ethoxymethyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride

C9H17ClN2OS — CID 120558488

IUPAC2-[4-(ethoxymethyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride
SMILESCCOCc1csc(CCNC)n1.Cl
InChIInChI=1S/C9H16N2OS.ClH/c1-3-12-6-8-7-13-9(11-8)4-5-10-2;/h7,10H,3-6H2,1-2H3;1H
InChIKeyWBPGYAUFCCDAIW-UHFFFAOYSA-N
MW236.77 g/mol
LogP1.86
Rot. Bonds6

About 2-[4-(ethoxymethyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride

2-[4-(ethoxymethyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride (PubChem CID 120558488) has the molecular formula C9H17ClN2OS and a molecular weight of 236.77 g/mol. Its IUPAC name is 2-[4-(ethoxymethyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[4-(ethoxymethyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride
PubChem CID120558488
Molecular FormulaC9H17ClN2OS
Molecular Weight236.77 g/mol
Exact Mass236.08
IUPAC Name2-[4-(ethoxymethyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride
SMILESCCOCc1csc(CCNC)n1.Cl
InChIInChI=1S/C9H16N2OS.ClH/c1-3-12-6-8-7-13-9(11-8)4-5-10-2;/h7,10H,3-6H2,1-2H3;1H
InChIKeyWBPGYAUFCCDAIW-UHFFFAOYSA-N
XLogP1.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.77
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(ethoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 62445438
2-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 106815851
2-(2-ethoxy-1,3-thiazol-4-yl)-N-methylethanamine
CID 83876693
N,N-dimethyl-2-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methoxy]ethanamine
CID 62458579
N-methyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride
CID 120558492
1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 103150152
N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62450594
N-[[4-(1-ethoxypropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 103490551
N-[[4-(butoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62451710
1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 54955994
(2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 50944167
4-[(4-ethoxyphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 78878086

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethoxymethyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride?
The IUPAC name of 2-[4-(ethoxymethyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride (CID 120558488) is 2-[4-(ethoxymethyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride.
What is the SMILES notation for 2-[4-(ethoxymethyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride?
The canonical SMILES for 2-[4-(ethoxymethyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride is CCOCc1csc(CCNC)n1.Cl.
What is the InChIKey of 2-[4-(ethoxymethyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride?
The InChIKey is WBPGYAUFCCDAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS.ClH/c1-3-12-6-8-7-13-9(11-8)4-5-10-2;/h7,10H,3-6H2,1-2H3;1H.
What are the key properties of 2-[4-(ethoxymethyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride?
2-[4-(ethoxymethyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride has a molecular weight of 236.77 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethoxymethyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride is sourced from PubChem (CID 120558488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).