5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-amine

C10H11N3OS — CID 803234

IUPAC5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cccc(OCc2nnc(N)s2)c1
InChIInChI=1S/C10H11N3OS/c1-7-3-2-4-8(5-7)14-6-9-12-13-10(11)15-9/h2-5H,6H2,1H3,(H2,11,13)
InChIKeyLEHTXDBYRBMBGG-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.01
Rot. Bonds3

About 5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-amine

5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 803234) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID803234
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cccc(OCc2nnc(N)s2)c1
InChIInChI=1S/C10H11N3OS/c1-7-3-2-4-8(5-7)14-6-9-12-13-10(11)15-9/h2-5H,6H2,1H3,(H2,11,13)
InChIKeyLEHTXDBYRBMBGG-UHFFFAOYSA-N
XLogP2.01
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-amine (CID 803234) is 5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-amine is Cc1cccc(OCc2nnc(N)s2)c1.
What is the InChIKey of 5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is LEHTXDBYRBMBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-7-3-2-4-8(5-7)14-6-9-12-13-10(11)15-9/h2-5H,6H2,1H3,(H2,11,13).
What are the key properties of 5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-amine?
5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 221.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 803234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).