(4-tert-butylthiadiazol-5-yl)-(2-ethoxyphenyl)methanamine

C15H21N3OS — CID 105144930

IUPAC(4-tert-butylthiadiazol-5-yl)-(2-ethoxyphenyl)methanamine
SMILESCCOc1ccccc1C(N)c1snnc1C(C)(C)C
InChIInChI=1S/C15H21N3OS/c1-5-19-11-9-7-6-8-10(11)12(16)13-14(15(2,3)4)17-18-20-13/h6-9,12H,5,16H2,1-4H3
InChIKeyNCYCBLYVOXZFOX-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.28
Rot. Bonds4

About (4-tert-butylthiadiazol-5-yl)-(2-ethoxyphenyl)methanamine

(4-tert-butylthiadiazol-5-yl)-(2-ethoxyphenyl)methanamine (PubChem CID 105144930) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is (4-tert-butylthiadiazol-5-yl)-(2-ethoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-tert-butylthiadiazol-5-yl)-(2-ethoxyphenyl)methanamine
PubChem CID105144930
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name(4-tert-butylthiadiazol-5-yl)-(2-ethoxyphenyl)methanamine
SMILESCCOc1ccccc1C(N)c1snnc1C(C)(C)C
InChIInChI=1S/C15H21N3OS/c1-5-19-11-9-7-6-8-10(11)12(16)13-14(15(2,3)4)17-18-20-13/h6-9,12H,5,16H2,1-4H3
InChIKeyNCYCBLYVOXZFOX-UHFFFAOYSA-N
XLogP3.28
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105144931
(4-tert-butylthiadiazol-5-yl)-(4-ethoxyphenyl)methanamine
CID 105140754
(2-tert-butylphenyl)-(2-ethoxyphenyl)methanamine
CID 115853781
(4-tert-butyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methanamine
CID 61332859
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(4-bromothiophen-3-yl)-(4-tert-butylthiadiazol-5-yl)methanamine
CID 105166663
(2-ethoxyphenyl)-(2-ethylphenyl)methanamine
CID 115853715
(2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine
CID 115853757
(2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine
CID 43197136
(2,4-difluorophenyl)-(2-ethoxyphenyl)methanamine
CID 43197762
1-(2-ethoxyphenyl)-2,3-dimethylbutan-1-amine
CID 115853740
(4-tert-butylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105188050

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylthiadiazol-5-yl)-(2-ethoxyphenyl)methanamine?
The IUPAC name of (4-tert-butylthiadiazol-5-yl)-(2-ethoxyphenyl)methanamine (CID 105144930) is (4-tert-butylthiadiazol-5-yl)-(2-ethoxyphenyl)methanamine.
What is the SMILES notation for (4-tert-butylthiadiazol-5-yl)-(2-ethoxyphenyl)methanamine?
The canonical SMILES for (4-tert-butylthiadiazol-5-yl)-(2-ethoxyphenyl)methanamine is CCOc1ccccc1C(N)c1snnc1C(C)(C)C.
What is the InChIKey of (4-tert-butylthiadiazol-5-yl)-(2-ethoxyphenyl)methanamine?
The InChIKey is NCYCBLYVOXZFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-5-19-11-9-7-6-8-10(11)12(16)13-14(15(2,3)4)17-18-20-13/h6-9,12H,5,16H2,1-4H3.
What are the key properties of (4-tert-butylthiadiazol-5-yl)-(2-ethoxyphenyl)methanamine?
(4-tert-butylthiadiazol-5-yl)-(2-ethoxyphenyl)methanamine has a molecular weight of 291.42 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylthiadiazol-5-yl)-(2-ethoxyphenyl)methanamine is sourced from PubChem (CID 105144930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).