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

C9H8ClN3OS — CID 747906

IUPAC5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(COc2ccc(Cl)cc2)s1
InChIInChI=1S/C9H8ClN3OS/c10-6-1-3-7(4-2-6)14-5-8-12-13-9(11)15-8/h1-4H,5H2,(H2,11,13)
InChIKeyJHSPMGLZUKMLBE-UHFFFAOYSA-N
MW241.70 g/mol
LogP2.35
Rot. Bonds3

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

5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 747906) has the molecular formula C9H8ClN3OS and a molecular weight of 241.70 g/mol. Its IUPAC name is 5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID747906
Molecular FormulaC9H8ClN3OS
Molecular Weight241.70 g/mol
Exact Mass241.01
IUPAC Name5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(COc2ccc(Cl)cc2)s1
InChIInChI=1S/C9H8ClN3OS/c10-6-1-3-7(4-2-6)14-5-8-12-13-9(11)15-8/h1-4H,5H2,(H2,11,13)
InChIKeyJHSPMGLZUKMLBE-UHFFFAOYSA-N
XLogP2.35
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 945206
N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}acetamide
CID 878471
5-(Phenoxymethyl)-1,3,4-thiadiazol-2-amine
CID 575084
5-[1-(2-Chloro-phenoxy)-ethyl]-[1,3,4]thiadiazol-2-ylamine
CID 3155973
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 1382193
5-(1-Phenoxyethyl)-1,3,4-thiadiazol-2-amine
CID 3135847
5-[2-(2-Chloro-phenoxy)-ethyl]-[1,3,4]thiadiazol-2-ylamine
CID 1089188
5-[2-(4-Chloro-phenoxy)-ethyl]-[1,3,4]thiadiazol-2-ylamine
CID 1089189
5-[1-(4-Chloro-2-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine
CID 2964818
5-[1-(3-Chloro-4-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine
CID 2964820
5-[1-(4-Methoxy-phenoxy)-ethyl]-[1,3,4]thiadiazol-2-ylamine
CID 3155971
5-((2-Fluorophenoxy)methyl)-1,3,4-thiadiazol-2-amine
CID 811168

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-amine (CID 747906) is 5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(COc2ccc(Cl)cc2)s1.
What is the InChIKey of 5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is JHSPMGLZUKMLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3OS/c10-6-1-3-7(4-2-6)14-5-8-12-13-9(11)15-8/h1-4H,5H2,(H2,11,13).
What are the key properties of 5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-amine?
5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 241.70 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 747906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).