[4-tert-butyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine

C16H22N2O2S — CID 82438761

IUPAC[4-tert-butyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
SMILESCOc1ccccc1OCc1nc(C(C)(C)C)c(CN)s1
InChIInChI=1S/C16H22N2O2S/c1-16(2,3)15-13(9-17)21-14(18-15)10-20-12-8-6-5-7-11(12)19-4/h5-8H,9-10,17H2,1-4H3
InChIKeyWAYRKRZWLOLRNQ-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.49
Rot. Bonds5

About [4-tert-butyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine

[4-tert-butyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 82438761) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is [4-tert-butyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
PubChem CID82438761
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name[4-tert-butyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
SMILESCOc1ccccc1OCc1nc(C(C)(C)C)c(CN)s1
InChIInChI=1S/C16H22N2O2S/c1-16(2,3)15-13(9-17)21-14(18-15)10-20-12-8-6-5-7-11(12)19-4/h5-8H,9-10,17H2,1-4H3
InChIKeyWAYRKRZWLOLRNQ-UHFFFAOYSA-N
XLogP3.49
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile
CID 82438760
(2-benzyl-4-tert-butyl-1,3-thiazol-5-yl)methanamine
CID 82438449
[4-methyl-2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 28813835
[4-ethyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol
CID 82429108
[4-tert-butyl-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 114360980
[4-tert-butyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 114361101
[2-[(2-chlorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440553
2-[(2-methoxyphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 53263581
[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440456
[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methanamine
CID 114361034
[4-tert-butyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 82439181
[2-[(2-chlorophenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82429066

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-tert-butyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine (CID 82438761) is [4-tert-butyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-tert-butyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine is COc1ccccc1OCc1nc(C(C)(C)C)c(CN)s1.
What is the InChIKey of [4-tert-butyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is WAYRKRZWLOLRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-16(2,3)15-13(9-17)21-14(18-15)10-20-12-8-6-5-7-11(12)19-4/h5-8H,9-10,17H2,1-4H3.
What are the key properties of [4-tert-butyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine?
[4-tert-butyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 306.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82438761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).