2-[4-(methoxymethyl)-5-(methylaminomethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine

C11H21N3OS — CID 82441600

IUPAC2-[4-(methoxymethyl)-5-(methylaminomethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine
SMILESCNCc1sc(CCN(C)C)nc1COC
InChIInChI=1S/C11H21N3OS/c1-12-7-10-9(8-15-4)13-11(16-10)5-6-14(2)3/h12H,5-8H2,1-4H3
InChIKeySIJSYSBTVANPLL-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.11
Rot. Bonds7

About 2-[4-(methoxymethyl)-5-(methylaminomethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine

2-[4-(methoxymethyl)-5-(methylaminomethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine (PubChem CID 82441600) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)-5-(methylaminomethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(methoxymethyl)-5-(methylaminomethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine
PubChem CID82441600
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name2-[4-(methoxymethyl)-5-(methylaminomethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine
SMILESCNCc1sc(CCN(C)C)nc1COC
InChIInChI=1S/C11H21N3OS/c1-12-7-10-9(8-15-4)13-11(16-10)5-6-14(2)3/h12H,5-8H2,1-4H3
InChIKeySIJSYSBTVANPLL-UHFFFAOYSA-N
XLogP1.11
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(ethoxymethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114365994
1-[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440651
1-[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82439850
1-[4-(methoxymethyl)-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440799
1-[4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440582
1-[4-(methoxymethyl)-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82441029
1-[4-(methoxymethyl)-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440375
1-[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366066
1-[2-[(2,6-dichlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366065
1-[2-[(3,4-dimethylphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366014
N-ethyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
CID 107509684
N-[[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82441422

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)-5-(methylaminomethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(methoxymethyl)-5-(methylaminomethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine (CID 82441600) is 2-[4-(methoxymethyl)-5-(methylaminomethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(methoxymethyl)-5-(methylaminomethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(methoxymethyl)-5-(methylaminomethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine is CNCc1sc(CCN(C)C)nc1COC.
What is the InChIKey of 2-[4-(methoxymethyl)-5-(methylaminomethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine?
The InChIKey is SIJSYSBTVANPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-12-7-10-9(8-15-4)13-11(16-10)5-6-14(2)3/h12H,5-8H2,1-4H3.
What are the key properties of 2-[4-(methoxymethyl)-5-(methylaminomethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine?
2-[4-(methoxymethyl)-5-(methylaminomethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine has a molecular weight of 243.38 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)-5-(methylaminomethyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 82441600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).