(2,4-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine

C12H15N3O2S — CID 105145174

IUPAC(2,4-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine
SMILESCOc1ccc(C(N)c2snnc2C)c(OC)c1
InChIInChI=1S/C12H15N3O2S/c1-7-12(18-15-14-7)11(13)9-5-4-8(16-2)6-10(9)17-3/h4-6,11H,13H2,1-3H3
InChIKeyIMHGFWSUDKTSGI-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.91
Rot. Bonds4

About (2,4-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine

(2,4-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine (PubChem CID 105145174) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine
PubChem CID105145174
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name(2,4-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine
SMILESCOc1ccc(C(N)c2snnc2C)c(OC)c1
InChIInChI=1S/C12H15N3O2S/c1-7-12(18-15-14-7)11(13)9-5-4-8(16-2)6-10(9)17-3/h4-6,11H,13H2,1-3H3
InChIKeyIMHGFWSUDKTSGI-UHFFFAOYSA-N
XLogP1.91
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-tert-butylthiadiazol-5-yl)-(2,4-dimethoxyphenyl)methanamine
CID 105145080
(4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine
CID 105095522
(2,4-dimethoxyphenyl)-(3,5-dimethylthiophen-2-yl)methanamine
CID 81156141
(2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 43198782
(3-bromo-5-methylthiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 65279816
(2-methoxy-3,4-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanamine
CID 103435543
(3-chlorothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 80529748
(3-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 55240103
(2,4-dimethoxyphenyl)-(2,4-dimethylphenyl)methanamine
CID 43197259
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
(2,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methanamine
CID 63840532
(2,4-dimethoxyphenyl)-(2,3-dimethylphenyl)methanamine
CID 43197264

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine?
The IUPAC name of (2,4-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine (CID 105145174) is (2,4-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine?
The canonical SMILES for (2,4-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine is COc1ccc(C(N)c2snnc2C)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine?
The InChIKey is IMHGFWSUDKTSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-7-12(18-15-14-7)11(13)9-5-4-8(16-2)6-10(9)17-3/h4-6,11H,13H2,1-3H3.
What are the key properties of (2,4-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine?
(2,4-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine has a molecular weight of 265.34 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105145174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).