(4-tert-butylthiadiazol-5-yl)-(2,4-dimethoxyphenyl)methanamine

C15H21N3O2S — CID 105145080

IUPAC(4-tert-butylthiadiazol-5-yl)-(2,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2snnc2C(C)(C)C)c(OC)c1
InChIInChI=1S/C15H21N3O2S/c1-15(2,3)14-13(21-18-17-14)12(16)10-7-6-9(19-4)8-11(10)20-5/h6-8,12H,16H2,1-5H3
InChIKeySVTKQXVLXKWEDA-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.90
Rot. Bonds4

About (4-tert-butylthiadiazol-5-yl)-(2,4-dimethoxyphenyl)methanamine

(4-tert-butylthiadiazol-5-yl)-(2,4-dimethoxyphenyl)methanamine (PubChem CID 105145080) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is (4-tert-butylthiadiazol-5-yl)-(2,4-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-tert-butylthiadiazol-5-yl)-(2,4-dimethoxyphenyl)methanamine
PubChem CID105145080
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name(4-tert-butylthiadiazol-5-yl)-(2,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2snnc2C(C)(C)C)c(OC)c1
InChIInChI=1S/C15H21N3O2S/c1-15(2,3)14-13(21-18-17-14)12(16)10-7-6-9(19-4)8-11(10)20-5/h6-8,12H,16H2,1-5H3
InChIKeySVTKQXVLXKWEDA-UHFFFAOYSA-N
XLogP2.90
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2,4-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine
CID 105145174
(4-tert-butylthiadiazol-5-yl)-(3,4-dimethoxyphenyl)methanamine
CID 105141183
(4-tert-butylthiadiazol-5-yl)-(2-fluoro-4-methoxyphenyl)methanol
CID 103397508
2-(2-bromo-5-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine
CID 105150953
(2,4-dimethoxyphenyl)-(3,5-dimethylthiophen-2-yl)methanamine
CID 81156141
(3-chlorothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 80529748
(3-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 55240103
(3-bromo-5-methylthiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 65279816
(2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 43198782
2-(3-bromo-4-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine
CID 105110790
(4-tert-butylthiadiazol-5-yl)-(3-methoxyphenyl)methanol
CID 105076907
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylthiadiazol-5-yl)-(2,4-dimethoxyphenyl)methanamine?
The IUPAC name of (4-tert-butylthiadiazol-5-yl)-(2,4-dimethoxyphenyl)methanamine (CID 105145080) is (4-tert-butylthiadiazol-5-yl)-(2,4-dimethoxyphenyl)methanamine.
What is the SMILES notation for (4-tert-butylthiadiazol-5-yl)-(2,4-dimethoxyphenyl)methanamine?
The canonical SMILES for (4-tert-butylthiadiazol-5-yl)-(2,4-dimethoxyphenyl)methanamine is COc1ccc(C(N)c2snnc2C(C)(C)C)c(OC)c1.
What is the InChIKey of (4-tert-butylthiadiazol-5-yl)-(2,4-dimethoxyphenyl)methanamine?
The InChIKey is SVTKQXVLXKWEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-15(2,3)14-13(21-18-17-14)12(16)10-7-6-9(19-4)8-11(10)20-5/h6-8,12H,16H2,1-5H3.
What are the key properties of (4-tert-butylthiadiazol-5-yl)-(2,4-dimethoxyphenyl)methanamine?
(4-tert-butylthiadiazol-5-yl)-(2,4-dimethoxyphenyl)methanamine has a molecular weight of 307.42 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylthiadiazol-5-yl)-(2,4-dimethoxyphenyl)methanamine is sourced from PubChem (CID 105145080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).