N-[[2-(1-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine

C10H18N2OS — CID 116727612

IUPACN-[[2-(1-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(C(CC)OC)s1
InChIInChI=1S/C10H18N2OS/c1-4-9(13-3)10-12-7-8(14-10)6-11-5-2/h7,9,11H,4-6H2,1-3H3
InChIKeyXPHXVWZVMSTLCK-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.35
Rot. Bonds6

About N-[[2-(1-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(1-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 116727612) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-[[2-(1-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID116727612
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-[[2-(1-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(C(CC)OC)s1
InChIInChI=1S/C10H18N2OS/c1-4-9(13-3)10-12-7-8(14-10)6-11-5-2/h7,9,11H,4-6H2,1-3H3
InChIKeyXPHXVWZVMSTLCK-UHFFFAOYSA-N
XLogP2.35
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methoxypropyl)-1,3-thiazole-5-carboxylic acid
CID 116705404
N-[(2-butan-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 63717618
N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 61282504
N-[[4-(difluoromethyl)-2-(1-methoxypropyl)pyrimidin-5-yl]methyl]ethanamine
CID 114206962
1-[2-(1-methoxybutyl)-1,3-thiazol-5-yl]ethanone
CID 116727518
5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82966301
N-[[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61282498
N-[[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116727637
N-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 62749898
N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine
CID 79482761
3-ethoxy-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 115693948
2-(1-methoxybutyl)-5-propan-2-yl-1,3-thiazole
CID 116734664

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 116727612) is N-[[2-(1-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1cnc(C(CC)OC)s1.
What is the InChIKey of N-[[2-(1-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is XPHXVWZVMSTLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-4-9(13-3)10-12-7-8(14-10)6-11-5-2/h7,9,11H,4-6H2,1-3H3.
What are the key properties of N-[[2-(1-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(1-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 214.33 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 116727612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).