[3-methoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]phenyl]methanamine

C11H13N3O2S — CID 65208777

IUPAC[3-methoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]phenyl]methanamine
SMILESCOc1cc(CN)ccc1Oc1nnc(C)s1
InChIInChI=1S/C11H13N3O2S/c1-7-13-14-11(17-7)16-9-4-3-8(6-12)5-10(9)15-2/h3-5H,6,12H2,1-2H3
InChIKeyLUOUIJFMNVNDHI-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.11
Rot. Bonds4

About [3-methoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]phenyl]methanamine

[3-methoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]phenyl]methanamine (PubChem CID 65208777) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is [3-methoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-methoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]phenyl]methanamine
PubChem CID65208777
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name[3-methoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]phenyl]methanamine
SMILESCOc1cc(CN)ccc1Oc1nnc(C)s1
InChIInChI=1S/C11H13N3O2S/c1-7-13-14-11(17-7)16-9-4-3-8(6-12)5-10(9)15-2/h3-5H,6,12H2,1-2H3
InChIKeyLUOUIJFMNVNDHI-UHFFFAOYSA-N
XLogP2.11
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-methoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]phenyl]methanamine with MolForge

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Related Compounds

[3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride
CID 43810786
[3-chloro-4-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine
CID 107663669
[4-methoxy-3-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20992369
[4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine
CID 81106628
[4-(2,1-benzothiazol-3-yloxy)-3-methoxyphenyl]methanamine
CID 66356378
2-(4-ethyl-2-methoxyphenoxy)-1,3-thiazol-5-amine
CID 107663780
[4-methyl-3-(1,3,4-thiadiazol-2-yloxy)phenyl]methanamine
CID 107657383
[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methanamine
CID 22681699
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
ethyl 5-(2-methoxy-4-methylphenoxy)-1,3,4-thiadiazole-2-carboxylate
CID 80612559
[2-(4-ethyl-2-methoxyphenoxy)-6-methyl-4-pyridinyl]methanamine
CID 107663652
[4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112587988

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]phenyl]methanamine?
The IUPAC name of [3-methoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]phenyl]methanamine (CID 65208777) is [3-methoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]phenyl]methanamine.
What is the SMILES notation for [3-methoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]phenyl]methanamine?
The canonical SMILES for [3-methoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]phenyl]methanamine is COc1cc(CN)ccc1Oc1nnc(C)s1.
What is the InChIKey of [3-methoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]phenyl]methanamine?
The InChIKey is LUOUIJFMNVNDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-7-13-14-11(17-7)16-9-4-3-8(6-12)5-10(9)15-2/h3-5H,6,12H2,1-2H3.
What are the key properties of [3-methoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]phenyl]methanamine?
[3-methoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]phenyl]methanamine has a molecular weight of 251.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]phenyl]methanamine is sourced from PubChem (CID 65208777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).