[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine

C14H18N2OS — CID 54956681

IUPAC[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
SMILESCC(C)c1nc(COc2ccccc2CN)cs1
InChIInChI=1S/C14H18N2OS/c1-10(2)14-16-12(9-18-14)8-17-13-6-4-3-5-11(13)7-15/h3-6,9-10H,7-8,15H2,1-2H3
InChIKeyAKXMSTAGNYCEFA-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.30
Rot. Bonds5

About [2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine

[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine (PubChem CID 54956681) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is [2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
PubChem CID54956681
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
SMILESCC(C)c1nc(COc2ccccc2CN)cs1
InChIInChI=1S/C14H18N2OS/c1-10(2)14-16-12(9-18-14)8-17-13-6-4-3-5-11(13)7-15/h3-6,9-10H,7-8,15H2,1-2H3
InChIKeyAKXMSTAGNYCEFA-UHFFFAOYSA-N
XLogP3.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 107258145
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenol
CID 54956266
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzamide
CID 38866514
1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine
CID 61487826
1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanone
CID 61227732
(1S)-1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-ol
CID 63364149
2-[3-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 61487604
[3-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 112612377
4-[(4-bromo-2-methylphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 63530798
[3-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487516
(1R)-1-[5-chloro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 63366748
(1R)-1-[4-bromo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 102946677

Frequently Asked Questions

What is the IUPAC name of [2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The IUPAC name of [2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine (CID 54956681) is [2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine is CC(C)c1nc(COc2ccccc2CN)cs1.
What is the InChIKey of [2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The InChIKey is AKXMSTAGNYCEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10(2)14-16-12(9-18-14)8-17-13-6-4-3-5-11(13)7-15/h3-6,9-10H,7-8,15H2,1-2H3.
What are the key properties of [2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine has a molecular weight of 262.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 54956681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).