[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine

C16H22N2OS — CID 62452340

IUPAC[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine
SMILESCCC(C)(C)c1ccc(OCc2csc(CN)n2)cc1
InChIInChI=1S/C16H22N2OS/c1-4-16(2,3)12-5-7-14(8-6-12)19-10-13-11-20-15(9-17)18-13/h5-8,11H,4,9-10,17H2,1-3H3
InChIKeyTXVFWCQOXJCXQN-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.87
Rot. Bonds6

About [4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine

[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine (PubChem CID 62452340) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is [4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine
PubChem CID62452340
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine
SMILESCCC(C)(C)c1ccc(OCc2csc(CN)n2)cc1
InChIInChI=1S/C16H22N2OS/c1-4-16(2,3)12-5-7-14(8-6-12)19-10-13-11-20-15(9-17)18-13/h5-8,11H,4,9-10,17H2,1-3H3
InChIKeyTXVFWCQOXJCXQN-UHFFFAOYSA-N
XLogP3.87
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine with MolForge

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Related Compounds

4-[(4-tert-butylphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 64766048
[4-[(4-propylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine
CID 62548421
4-[(4-ethoxyphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 78878086
[4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]methanamine
CID 62484343
4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol
CID 61484157
[4-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine
CID 83134833
[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride
CID 127501309
[4-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-2-yl]methanamine
CID 103175647
[4-(ethoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 62445438
2-methyl-N-[[4-(phenoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62454477
[2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]furan-3-yl]methanamine
CID 62454775
4-[(4-fluorophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773447

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine (CID 62452340) is [4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine is CCC(C)(C)c1ccc(OCc2csc(CN)n2)cc1.
What is the InChIKey of [4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is TXVFWCQOXJCXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-16(2,3)12-5-7-14(8-6-12)19-10-13-11-20-15(9-17)18-13/h5-8,11H,4,9-10,17H2,1-3H3.
What are the key properties of [4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine?
[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 290.43 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 62452340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).