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

C15H28N2OS — CID 114361121

IUPAC[4-tert-butyl-2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCOC(CC)(CC)c1nc(C(C)(C)C)c(CN)s1
InChIInChI=1S/C15H28N2OS/c1-7-15(8-2,18-9-3)13-17-12(14(4,5)6)11(10-16)19-13/h7-10,16H2,1-6H3
InChIKeyYEIAEMZIUXUWLB-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.95
Rot. Bonds6

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

[4-tert-butyl-2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114361121) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is [4-tert-butyl-2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID114361121
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name[4-tert-butyl-2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCOC(CC)(CC)c1nc(C(C)(C)C)c(CN)s1
InChIInChI=1S/C15H28N2OS/c1-7-15(8-2,18-9-3)13-17-12(14(4,5)6)11(10-16)19-13/h7-10,16H2,1-6H3
InChIKeyYEIAEMZIUXUWLB-UHFFFAOYSA-N
XLogP3.95
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanamine
CID 82439357
[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine
CID 82438798
[4-tert-butyl-2-(4-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 82439217
[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methanamine
CID 114361034
1-[2-(3-ethoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116777834
(2-benzyl-4-tert-butyl-1,3-thiazol-5-yl)methanamine
CID 82438449
5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-propyl-1,3-thiazol-2-amine
CID 62768652
5-(aminomethyl)-4-tert-butyl-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine
CID 62768860
4-tert-butyl-2-(3-methoxypentan-3-yl)-1,3-thiazole-5-carboxylic acid
CID 114359467
[4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 103476449
5-(aminomethyl)-4-tert-butyl-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62769108
2-(3-ethoxypentan-3-yl)-5-methyl-1,3-thiazole
CID 116782789

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-tert-butyl-2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methanamine (CID 114361121) is [4-tert-butyl-2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-tert-butyl-2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methanamine is CCOC(CC)(CC)c1nc(C(C)(C)C)c(CN)s1.
What is the InChIKey of [4-tert-butyl-2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is YEIAEMZIUXUWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-7-15(8-2,18-9-3)13-17-12(14(4,5)6)11(10-16)19-13/h7-10,16H2,1-6H3.
What are the key properties of [4-tert-butyl-2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methanamine?
[4-tert-butyl-2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 284.47 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).