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

C16H22N2OS — CID 61332859

IUPAC(4-tert-butyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methanamine
SMILESCCOc1ccccc1C(N)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C16H22N2OS/c1-5-19-12-9-7-6-8-11(12)14(17)15-18-13(10-20-15)16(2,3)4/h6-10,14H,5,17H2,1-4H3
InChIKeyWDDXEMBEOBQBAQ-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.89
Rot. Bonds4

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

(4-tert-butyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methanamine (PubChem CID 61332859) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is (4-tert-butyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-tert-butyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methanamine
PubChem CID61332859
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name(4-tert-butyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methanamine
SMILESCCOc1ccccc1C(N)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C16H22N2OS/c1-5-19-12-9-7-6-8-11(12)14(17)15-18-13(10-20-15)16(2,3)4/h6-10,14H,5,17H2,1-4H3
InChIKeyWDDXEMBEOBQBAQ-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-tert-butylphenyl)-(2-ethoxyphenyl)methanamine
CID 115853781
(4-tert-butylthiadiazol-5-yl)-(2-ethoxyphenyl)methanamine
CID 105144930
ethyl 2-[amino-(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylate
CID 82045364
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82516097
(2-ethoxyphenyl)-(2-ethylphenyl)methanamine
CID 115853715
1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine
CID 61487826
(2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine
CID 115853757
(2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine
CID 43197136
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
1-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-1-amine
CID 62952140
(2-ethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105144931
(2-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 115533717

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methanamine?
The IUPAC name of (4-tert-butyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methanamine (CID 61332859) is (4-tert-butyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methanamine.
What is the SMILES notation for (4-tert-butyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methanamine?
The canonical SMILES for (4-tert-butyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methanamine is CCOc1ccccc1C(N)c1nc(C(C)(C)C)cs1.
What is the InChIKey of (4-tert-butyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methanamine?
The InChIKey is WDDXEMBEOBQBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-5-19-12-9-7-6-8-11(12)14(17)15-18-13(10-20-15)16(2,3)4/h6-10,14H,5,17H2,1-4H3.
What are the key properties of (4-tert-butyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methanamine?
(4-tert-butyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methanamine has a molecular weight of 290.43 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methanamine is sourced from PubChem (CID 61332859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).