4-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine

C12H22N2OS — CID 61281474

IUPAC4-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)NCc1csc(C)n1
InChIInChI=1S/C12H22N2OS/c1-9(6-12(3,4)15-5)13-7-11-8-16-10(2)14-11/h8-9,13H,6-7H2,1-5H3
InChIKeyAJNCUZUNMHPTEB-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.74
Rot. Bonds6

About 4-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine

4-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine (PubChem CID 61281474) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine
PubChem CID61281474
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name4-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)NCc1csc(C)n1
InChIInChI=1S/C12H22N2OS/c1-9(6-12(3,4)15-5)13-7-11-8-16-10(2)14-11/h8-9,13H,6-7H2,1-5H3
InChIKeyAJNCUZUNMHPTEB-UHFFFAOYSA-N
XLogP2.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-{[({2-[(Methylthio)methyl]-1,3-thiazol-4-yl}methyl)amino]methyl}piperidin-3-ol
CID 70740378
(2S)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine
CID 95227400
2,2,2-trifluoro-N-[[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 102929559
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 103150156
N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]butan-2-amine
CID 103151276
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]butan-2-amine
CID 103151324
2,2,2-trifluoro-N-[[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 113754097
N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 113781125
(3-Methoxypropyl)({[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl})amine
CID 165866223
2-[(2-Methylpropan-2-yl)oxy]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 19104032
N-methyl-1-(2-pentan-3-yl-1,3-thiazol-4-yl)methanamine
CID 53883879
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-1-amine
CID 69781242

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine (CID 61281474) is 4-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine is COC(C)(C)CC(C)NCc1csc(C)n1.
What is the InChIKey of 4-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine?
The InChIKey is AJNCUZUNMHPTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-9(6-12(3,4)15-5)13-7-11-8-16-10(2)14-11/h8-9,13H,6-7H2,1-5H3.
What are the key properties of 4-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine?
4-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-2-amine is sourced from PubChem (CID 61281474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).