5-[4-(methoxymethoxy)phenyl]-1,3,4-thiadiazol-2-amine

C10H11N3O2S — CID 84616743

IUPAC5-[4-(methoxymethoxy)phenyl]-1,3,4-thiadiazol-2-amine
SMILESCOCOc1ccc(-c2nnc(N)s2)cc1
InChIInChI=1S/C10H11N3O2S/c1-14-6-15-8-4-2-7(3-5-8)9-12-13-10(11)16-9/h2-5H,6H2,1H3,(H2,11,13)
InChIKeyZRIIGVPLEKZFHS-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.77
Rot. Bonds4

About 5-[4-(methoxymethoxy)phenyl]-1,3,4-thiadiazol-2-amine

5-[4-(methoxymethoxy)phenyl]-1,3,4-thiadiazol-2-amine (PubChem CID 84616743) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 5-[4-(methoxymethoxy)phenyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[4-(methoxymethoxy)phenyl]-1,3,4-thiadiazol-2-amine
PubChem CID84616743
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name5-[4-(methoxymethoxy)phenyl]-1,3,4-thiadiazol-2-amine
SMILESCOCOc1ccc(-c2nnc(N)s2)cc1
InChIInChI=1S/C10H11N3O2S/c1-14-6-15-8-4-2-7(3-5-8)9-12-13-10(11)16-9/h2-5H,6H2,1H3,(H2,11,13)
InChIKeyZRIIGVPLEKZFHS-UHFFFAOYSA-N
XLogP1.77
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-thiadiazol-2-amine
CID 22713200
5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 692882
5-[4-(3-azidopropoxy)phenyl]-1,3,4-thiadiazol-2-amine
CID 59154562
1,4-bis(methoxymethoxy)benzene
CID 542643
5-(4-cyclopropyloxyphenyl)-1,3,4-thiadiazol-2-amine
CID 114520379
[5-[4-(2-methoxyethoxy)phenyl]-1,3,4-thiadiazol-2-yl]methanamine
CID 98017803
5-[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]-1,3,4-thiadiazol-2-amine
CID 59416740
1-methoxy-4-[4-(methoxymethoxy)phenyl]benzene
CID 58029226
5-[4-[ethyl(propyl)amino]phenyl]-1,3,4-thiadiazol-2-amine
CID 76850717
5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 67236110
5-(3-iodo-4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 130052804
1-ethyl-4-(methoxymethoxy)benzene
CID 54365082

Frequently Asked Questions

What is the IUPAC name of 5-[4-(methoxymethoxy)phenyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[4-(methoxymethoxy)phenyl]-1,3,4-thiadiazol-2-amine (CID 84616743) is 5-[4-(methoxymethoxy)phenyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[4-(methoxymethoxy)phenyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[4-(methoxymethoxy)phenyl]-1,3,4-thiadiazol-2-amine is COCOc1ccc(-c2nnc(N)s2)cc1.
What is the InChIKey of 5-[4-(methoxymethoxy)phenyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ZRIIGVPLEKZFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-14-6-15-8-4-2-7(3-5-8)9-12-13-10(11)16-9/h2-5H,6H2,1H3,(H2,11,13).
What are the key properties of 5-[4-(methoxymethoxy)phenyl]-1,3,4-thiadiazol-2-amine?
5-[4-(methoxymethoxy)phenyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 237.28 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methoxymethoxy)phenyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 84616743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).