N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methoxy-3-methylbutan-2-amine

C12H22N2OS — CID 65047295

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methoxy-3-methylbutan-2-amine
SMILESCCc1ncc(CNC(COC)C(C)C)s1
InChIInChI=1S/C12H22N2OS/c1-5-12-14-7-10(16-12)6-13-11(8-15-4)9(2)3/h7,9,11,13H,5-6,8H2,1-4H3
InChIKeyREQJDUHQOKQWGI-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.47
Rot. Bonds7

About N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methoxy-3-methylbutan-2-amine

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methoxy-3-methylbutan-2-amine (PubChem CID 65047295) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methoxy-3-methylbutan-2-amine
PubChem CID65047295
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methoxy-3-methylbutan-2-amine
SMILESCCc1ncc(CNC(COC)C(C)C)s1
InChIInChI=1S/C12H22N2OS/c1-5-12-14-7-10(16-12)6-13-11(8-15-4)9(2)3/h7,9,11,13H,5-6,8H2,1-4H3
InChIKeyREQJDUHQOKQWGI-UHFFFAOYSA-N
XLogP2.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]pentanenitrile
CID 62645708
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81397300
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 60982900
2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 54883577
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81374720
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethanamine
CID 54883465
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769057
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methoxy-2-methylpropan-2-amine
CID 115684330
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 60983008
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81399072
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115684441
1-(2-chlorophenyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 54883561

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methoxy-3-methylbutan-2-amine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methoxy-3-methylbutan-2-amine (CID 65047295) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methoxy-3-methylbutan-2-amine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methoxy-3-methylbutan-2-amine is CCc1ncc(CNC(COC)C(C)C)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methoxy-3-methylbutan-2-amine?
The InChIKey is REQJDUHQOKQWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-5-12-14-7-10(16-12)6-13-11(8-15-4)9(2)3/h7,9,11,13H,5-6,8H2,1-4H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methoxy-3-methylbutan-2-amine?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methoxy-3-methylbutan-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 65047295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).