5-(2,6-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine

C10H11N3O2S — CID 3407778

IUPAC5-(2,6-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESCOc1cccc(OC)c1-c1nnc(N)s1
InChIInChI=1S/C10H11N3O2S/c1-14-6-4-3-5-7(15-2)8(6)9-12-13-10(11)16-9/h3-5H,1-2H3,(H2,11,13)
InChIKeyLVVJKSCZUBZUOF-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.80
Rot. Bonds3

About 5-(2,6-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine

5-(2,6-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 3407778) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID3407778
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name5-(2,6-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESCOc1cccc(OC)c1-c1nnc(N)s1
InChIInChI=1S/C10H11N3O2S/c1-14-6-4-3-5-7(15-2)8(6)9-12-13-10(11)16-9/h3-5H,1-2H3,(H2,11,13)
InChIKeyLVVJKSCZUBZUOF-UHFFFAOYSA-N
XLogP1.80
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,4,6-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 83662420
5-(5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,3,4-thiadiazol-2-amine
CID 82451875
5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 692882
3-(5-amino-1,3,4-thiadiazol-2-yl)-4-methoxybenzonitrile
CID 106951468
5-[2-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 6486679
5-(2,4-dimethyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine
CID 23463033
5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 67236110
5-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 155816216
2,6-dimethoxyaniline;ethane
CID 145233133
6-(2,6-dimethoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 39353991
3-(2,6-dimethoxyphenyl)-4-methyl-1,2-oxazol-5-amine
CID 43158389
5-(2-iodo-3-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 103863145

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2,6-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine (CID 3407778) is 5-(2,6-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2,6-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine is COc1cccc(OC)c1-c1nnc(N)s1.
What is the InChIKey of 5-(2,6-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is LVVJKSCZUBZUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-14-6-4-3-5-7(15-2)8(6)9-12-13-10(11)16-9/h3-5H,1-2H3,(H2,11,13).
What are the key properties of 5-(2,6-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine?
5-(2,6-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 237.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 3407778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).