(4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine

C11H13N3OS — CID 105095522

IUPAC(4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine
SMILESCOc1ccc(C(N)c2snnc2C)cc1
InChIInChI=1S/C11H13N3OS/c1-7-11(16-14-13-7)10(12)8-3-5-9(15-2)6-4-8/h3-6,10H,12H2,1-2H3
InChIKeyOGFXLRKDVFBTJS-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.90
Rot. Bonds3

About (4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine

(4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine (PubChem CID 105095522) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is (4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine
PubChem CID105095522
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name(4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine
SMILESCOc1ccc(C(N)c2snnc2C)cc1
InChIInChI=1S/C11H13N3OS/c1-7-11(16-14-13-7)10(12)8-3-5-9(15-2)6-4-8/h3-6,10H,12H2,1-2H3
InChIKeyOGFXLRKDVFBTJS-UHFFFAOYSA-N
XLogP1.90
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluorophenyl)-(4-methylthiadiazol-5-yl)methanamine
CID 105088292
(4-methylthiadiazol-5-yl)-phenylmethanamine
CID 105084242
(2,4-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine
CID 105145174
(3,5-dimethoxypyrazin-2-yl)-(4-methylthiadiazol-5-yl)methanamine
CID 105178333
(2-methoxy-3,4-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanamine
CID 103435543
3-(4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)propan-1-ol
CID 105101400
4-[amino-(4-methoxyphenyl)methyl]phenol;hydrochloride
CID 69080735
(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 80529927
(4-methoxyphenyl)methanedithiol
CID 19893185
(3,5-dimethoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105168313
(4-methoxyphenyl)-(2-methylphenyl)methanamine
CID 24688459
N-[(3,5-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine
CID 105168373

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine?
The IUPAC name of (4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine (CID 105095522) is (4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine.
What is the SMILES notation for (4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine?
The canonical SMILES for (4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine is COc1ccc(C(N)c2snnc2C)cc1.
What is the InChIKey of (4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine?
The InChIKey is OGFXLRKDVFBTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-7-11(16-14-13-7)10(12)8-3-5-9(15-2)6-4-8/h3-6,10H,12H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine?
(4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine has a molecular weight of 235.31 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105095522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).