[5-(4-methoxy-2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine

C12H15N3OS — CID 82360097

IUPAC[5-(4-methoxy-2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
SMILESCOc1cc(C)c(-c2nnc(CN)s2)c(C)c1
InChIInChI=1S/C12H15N3OS/c1-7-4-9(16-3)5-8(2)11(7)12-15-14-10(6-13)17-12/h4-5H,6,13H2,1-3H3
InChIKeyUOJCHGLGTOTYHX-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.29
Rot. Bonds3

About [5-(4-methoxy-2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine

[5-(4-methoxy-2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine (PubChem CID 82360097) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is [5-(4-methoxy-2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(4-methoxy-2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
PubChem CID82360097
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name[5-(4-methoxy-2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
SMILESCOc1cc(C)c(-c2nnc(CN)s2)c(C)c1
InChIInChI=1S/C12H15N3OS/c1-7-4-9(16-3)5-8(2)11(7)12-15-14-10(6-13)17-12/h4-5H,6,13H2,1-3H3
InChIKeyUOJCHGLGTOTYHX-UHFFFAOYSA-N
XLogP2.29
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxy-2,6-dimethylphenyl)methanamine
CID 82266532
[5-(4-ethoxy-2,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 82360109
5-(2,4,6-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 83662420
[5-[4-(2-methoxyethoxy)phenyl]-1,3,4-thiadiazol-2-yl]methanamine
CID 98017803
[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]methanamine
CID 95459878
[5-(4-bromo-3-methylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
CID 83134197
2-(2,4-dimethoxy-6-methylphenyl)-4-methyl-1,3-thiazole
CID 116891940
[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methanamine
CID 107966911
2-[5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82049351
2,6-bis(4-methoxy-2,6-dimethylphenyl)pyridine
CID 71374375
2-(4-methoxy-2,6-dimethylphenyl)propan-2-amine
CID 82048609
[2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 116868171

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxy-2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine?
The IUPAC name of [5-(4-methoxy-2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine (CID 82360097) is [5-(4-methoxy-2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(4-methoxy-2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine?
The canonical SMILES for [5-(4-methoxy-2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine is COc1cc(C)c(-c2nnc(CN)s2)c(C)c1.
What is the InChIKey of [5-(4-methoxy-2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine?
The InChIKey is UOJCHGLGTOTYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-7-4-9(16-3)5-8(2)11(7)12-15-14-10(6-13)17-12/h4-5H,6,13H2,1-3H3.
What are the key properties of [5-(4-methoxy-2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine?
[5-(4-methoxy-2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine has a molecular weight of 249.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxy-2,6-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine is sourced from PubChem (CID 82360097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).