1-[2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine

C16H22N2OS — CID 106484727

IUPAC1-[2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1OCc1csc(C(C)(C)C)n1
InChIInChI=1S/C16H22N2OS/c1-16(2,3)15-18-13(11-20-15)10-19-14-8-6-5-7-12(14)9-17-4/h5-8,11,17H,9-10H2,1-4H3
InChIKeyMFFXJEUTMVCKRW-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.74
Rot. Bonds5

About 1-[2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine

1-[2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 106484727) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-[2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
PubChem CID106484727
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-[2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1OCc1csc(C(C)(C)C)n1
InChIInChI=1S/C16H22N2OS/c1-16(2,3)15-18-13(11-20-15)10-19-14-8-6-5-7-12(14)9-17-4/h5-8,11,17H,9-10H2,1-4H3
InChIKeyMFFXJEUTMVCKRW-UHFFFAOYSA-N
XLogP3.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(4-tert-butylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 43277189
1-[2-[(6-chloro-2-pyridinyl)methoxy]phenyl]-N-methylmethanamine
CID 106484556
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine
CID 115586423
[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 54956681
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]-N-methylmethanamine
CID 107695414
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(difluoromethoxy)aniline
CID 115686029
2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenoxy]ethanol
CID 111630061
4-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-2-amine
CID 43137858
[4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 110891814
N-[[4-[(2-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62486609
1-[2-[(2-chloro-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine
CID 106484619
2-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 107258145

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine (CID 106484727) is 1-[2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine is CNCc1ccccc1OCc1csc(C(C)(C)C)n1.
What is the InChIKey of 1-[2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is MFFXJEUTMVCKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-16(2,3)15-18-13(11-20-15)10-19-14-8-6-5-7-12(14)9-17-4/h5-8,11,17H,9-10H2,1-4H3.
What are the key properties of 1-[2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine?
1-[2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 290.43 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 106484727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).