5-(phenoxymethyl)-1,3,4-thiadiazol-2-amine

C9H9N3OS — CID 575084

IUPAC5-(phenoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(COc2ccccc2)s1
InChIInChI=1S/C9H9N3OS/c10-9-12-11-8(14-9)6-13-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12)
InChIKeyCLQBSPRBHILXIC-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.70
Rot. Bonds3

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

5-(phenoxymethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 575084) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 5-(phenoxymethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(phenoxymethyl)-1,3,4-thiadiazol-2-amine
PubChem CID575084
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name5-(phenoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(COc2ccccc2)s1
InChIInChI=1S/C9H9N3OS/c10-9-12-11-8(14-9)6-13-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12)
InChIKeyCLQBSPRBHILXIC-UHFFFAOYSA-N
XLogP1.70
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3,4-Dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 685559
5-[3-(4-Fluorophenoxy)propylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 7760101
5-[(2,3-Dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 685560
5-[(2,5-Dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 685779
5-[(3-Methylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 803234
5-[1-(2-Chloro-phenoxy)-ethyl]-[1,3,4]thiadiazol-2-ylamine
CID 3155973
5-((3,5-Dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-amine
CID 685558
methyl N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 1392231
5-(1-Phenoxyethyl)-1,3,4-thiadiazol-2-amine
CID 3135847
5-[(4-Methylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 747905
2-Methoxy-N-(5-phenoxymethyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 652594
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenoxyacetamide
CID 811240

Frequently Asked Questions

What is the IUPAC name of 5-(phenoxymethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(phenoxymethyl)-1,3,4-thiadiazol-2-amine (CID 575084) is 5-(phenoxymethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(phenoxymethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(phenoxymethyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(COc2ccccc2)s1.
What is the InChIKey of 5-(phenoxymethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is CLQBSPRBHILXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c10-9-12-11-8(14-9)6-13-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12).
What are the key properties of 5-(phenoxymethyl)-1,3,4-thiadiazol-2-amine?
5-(phenoxymethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 207.26 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenoxymethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 575084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).