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

C15H21N3OS — CID 105140754

IUPAC(4-tert-butylthiadiazol-5-yl)-(4-ethoxyphenyl)methanamine
SMILESCCOc1ccc(C(N)c2snnc2C(C)(C)C)cc1
InChIInChI=1S/C15H21N3OS/c1-5-19-11-8-6-10(7-9-11)12(16)13-14(15(2,3)4)17-18-20-13/h6-9,12H,5,16H2,1-4H3
InChIKeyHQQXETFSEMKULD-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.28
Rot. Bonds4

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

(4-tert-butylthiadiazol-5-yl)-(4-ethoxyphenyl)methanamine (PubChem CID 105140754) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is (4-tert-butylthiadiazol-5-yl)-(4-ethoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-tert-butylthiadiazol-5-yl)-(4-ethoxyphenyl)methanamine
PubChem CID105140754
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name(4-tert-butylthiadiazol-5-yl)-(4-ethoxyphenyl)methanamine
SMILESCCOc1ccc(C(N)c2snnc2C(C)(C)C)cc1
InChIInChI=1S/C15H21N3OS/c1-5-19-11-8-6-10(7-9-11)12(16)13-14(15(2,3)4)17-18-20-13/h6-9,12H,5,16H2,1-4H3
InChIKeyHQQXETFSEMKULD-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

(4-tert-butylthiadiazol-5-yl)-(3,4-dimethoxyphenyl)methanamine
CID 105141183
(4-tert-butylthiadiazol-5-yl)-(2,4-dimethoxyphenyl)methanamine
CID 105145080
(4-tert-butylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105188050
(R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239826
(R)-(4-ethoxyphenyl)-thiophen-3-ylmethanamine
CID 93053796
(4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine
CID 105095522
1-(4-tert-butylthiadiazol-5-yl)pentan-1-amine
CID 105125244
(4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine
CID 106848489
(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanamine
CID 43197133
(4-ethoxyphenyl)-(1H-pyrazol-4-yl)methanamine
CID 82239705
amino-(4-ethoxyphenyl)methanol
CID 116939610
2-(4-ethoxyphenyl)pentan-3-amine
CID 79308575

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylthiadiazol-5-yl)-(4-ethoxyphenyl)methanamine?
The IUPAC name of (4-tert-butylthiadiazol-5-yl)-(4-ethoxyphenyl)methanamine (CID 105140754) is (4-tert-butylthiadiazol-5-yl)-(4-ethoxyphenyl)methanamine.
What is the SMILES notation for (4-tert-butylthiadiazol-5-yl)-(4-ethoxyphenyl)methanamine?
The canonical SMILES for (4-tert-butylthiadiazol-5-yl)-(4-ethoxyphenyl)methanamine is CCOc1ccc(C(N)c2snnc2C(C)(C)C)cc1.
What is the InChIKey of (4-tert-butylthiadiazol-5-yl)-(4-ethoxyphenyl)methanamine?
The InChIKey is HQQXETFSEMKULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-5-19-11-8-6-10(7-9-11)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)-(4-ethoxyphenyl)methanamine?
(4-tert-butylthiadiazol-5-yl)-(4-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)-(4-ethoxyphenyl)methanamine is sourced from PubChem (CID 105140754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).