(2-methoxy-3,4-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanamine

C13H17N3OS — CID 103435543

IUPAC(2-methoxy-3,4-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanamine
SMILESCOc1c(C(N)c2snnc2C)ccc(C)c1C
InChIInChI=1S/C13H17N3OS/c1-7-5-6-10(12(17-4)8(7)2)11(14)13-9(3)15-16-18-13/h5-6,11H,14H2,1-4H3
InChIKeyVWRIHUWXUCVEBC-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.52
Rot. Bonds3

About (2-methoxy-3,4-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanamine

(2-methoxy-3,4-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanamine (PubChem CID 103435543) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is (2-methoxy-3,4-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-methoxy-3,4-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanamine
PubChem CID103435543
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name(2-methoxy-3,4-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanamine
SMILESCOc1c(C(N)c2snnc2C)ccc(C)c1C
InChIInChI=1S/C13H17N3OS/c1-7-5-6-10(12(17-4)8(7)2)11(14)13-9(3)15-16-18-13/h5-6,11H,14H2,1-4H3
InChIKeyVWRIHUWXUCVEBC-UHFFFAOYSA-N
XLogP2.52
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine
CID 105145174
(2,6-dimethyl-4-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 107503056
(4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine
CID 105095522
(2-methoxy-3,4-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine
CID 103433834
(2-methoxy-3,4-dimethylphenyl)-(4-methyl-2-pyridinyl)methanamine
CID 103433515
(2-methoxy-3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanamine
CID 107977950
4-[amino-(2-methoxy-3,4-dimethylphenyl)methyl]-N,N-dimethylaniline
CID 103435266
(2-chloro-4-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 106858983
(5-bromo-3-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433757
(3-fluoro-5-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433807
(4-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433501
(4-bromo-2-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103435334

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3,4-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanamine?
The IUPAC name of (2-methoxy-3,4-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanamine (CID 103435543) is (2-methoxy-3,4-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanamine.
What is the SMILES notation for (2-methoxy-3,4-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanamine?
The canonical SMILES for (2-methoxy-3,4-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanamine is COc1c(C(N)c2snnc2C)ccc(C)c1C.
What is the InChIKey of (2-methoxy-3,4-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanamine?
The InChIKey is VWRIHUWXUCVEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-7-5-6-10(12(17-4)8(7)2)11(14)13-9(3)15-16-18-13/h5-6,11H,14H2,1-4H3.
What are the key properties of (2-methoxy-3,4-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanamine?
(2-methoxy-3,4-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanamine has a molecular weight of 263.37 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3,4-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 103435543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).