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

C16H22N2OS — CID 82439217

IUPAC[4-tert-butyl-2-(4-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine
SMILESCCOc1ccc(-c2nc(C(C)(C)C)c(CN)s2)cc1
InChIInChI=1S/C16H22N2OS/c1-5-19-12-8-6-11(7-9-12)15-18-14(16(2,3)4)13(10-17)20-15/h6-9H,5,10,17H2,1-4H3
InChIKeyGDMUISRQVADCPG-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.96
Rot. Bonds4

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

[4-tert-butyl-2-(4-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 82439217) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is [4-tert-butyl-2-(4-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-(4-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine
PubChem CID82439217
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name[4-tert-butyl-2-(4-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine
SMILESCCOc1ccc(-c2nc(C(C)(C)C)c(CN)s2)cc1
InChIInChI=1S/C16H22N2OS/c1-5-19-12-8-6-11(7-9-12)15-18-14(16(2,3)4)13(10-17)20-15/h6-9H,5,10,17H2,1-4H3
InChIKeyGDMUISRQVADCPG-UHFFFAOYSA-N
XLogP3.96
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-tert-butyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 82439181
[4-tert-butyl-2-(furan-3-yl)-1,3-thiazol-5-yl]methanamine
CID 114361063
(4-tert-butyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine
CID 114361075
[4-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanamine
CID 114360940
5-chloro-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole
CID 116887988
[4-tert-butyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methanamine
CID 82439289
[2-(4-ethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441217
[4-tert-butyl-2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methanamine
CID 114361121
1-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82438547
2-(4-ethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887536
2,5-bis(4-ethoxyphenyl)thiophene
CID 154402016
5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-thiadiazol-2-amine
CID 22713200

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-(4-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-tert-butyl-2-(4-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine (CID 82439217) is [4-tert-butyl-2-(4-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-(4-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-tert-butyl-2-(4-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine is CCOc1ccc(-c2nc(C(C)(C)C)c(CN)s2)cc1.
What is the InChIKey of [4-tert-butyl-2-(4-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is GDMUISRQVADCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-5-19-12-8-6-11(7-9-12)15-18-14(16(2,3)4)13(10-17)20-15/h6-9H,5,10,17H2,1-4H3.
What are the key properties of [4-tert-butyl-2-(4-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine?
[4-tert-butyl-2-(4-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 290.43 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(4-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82439217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).