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

C11H13N3OS — CID 2771921

IUPAC5-(1-phenoxypropyl)-1,3,4-thiadiazol-2-amine
SMILESCCC(Oc1ccccc1)c1nnc(N)s1
InChIInChI=1S/C11H13N3OS/c1-2-9(10-13-14-11(12)16-10)15-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H2,12,14)
InChIKeyHVKZMILXXWWZLZ-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.65
Rot. Bonds4

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

5-(1-phenoxypropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 2771921) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 5-(1-phenoxypropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(1-phenoxypropyl)-1,3,4-thiadiazol-2-amine
PubChem CID2771921
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name5-(1-phenoxypropyl)-1,3,4-thiadiazol-2-amine
SMILESCCC(Oc1ccccc1)c1nnc(N)s1
InChIInChI=1S/C11H13N3OS/c1-2-9(10-13-14-11(12)16-10)15-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H2,12,14)
InChIKeyHVKZMILXXWWZLZ-UHFFFAOYSA-N
XLogP2.65
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-amine
CID 744071
5-(1-phenylpropan-2-yl)-1,3,4-thiadiazol-2-amine
CID 91425019
3-(1-phenoxypropyl)pyridazine
CID 67744203
N-ethyl-N-[[6-[(1R)-1-phenoxypropyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]ethanamine
CID 95118997
5-[1-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine
CID 3155972
3-(1-phenoxypropyl)pyridine
CID 57251428
3-[(4-fluorophenoxy)methyl]-6-(1-phenoxypropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 11840666
5-[1-[3-(trifluoromethyl)phenyl]propyl]-1,3,4-thiadiazol-2-amine
CID 21403434
2-(4-chlorophenyl)-5-(1-phenoxypropyl)-1,3,4-oxadiazole
CID 43913123
3-methyl-2-phenoxypentanamide
CID 173059765
2-amino-N,N,4-trimethyl-6-(1-phenoxypropyl)pyrimidine-5-carboxamide
CID 54852291
5-[(1S)-1-(2,3-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-amine
CID 1089194

Frequently Asked Questions

What is the IUPAC name of 5-(1-phenoxypropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(1-phenoxypropyl)-1,3,4-thiadiazol-2-amine (CID 2771921) is 5-(1-phenoxypropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(1-phenoxypropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(1-phenoxypropyl)-1,3,4-thiadiazol-2-amine is CCC(Oc1ccccc1)c1nnc(N)s1.
What is the InChIKey of 5-(1-phenoxypropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is HVKZMILXXWWZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-2-9(10-13-14-11(12)16-10)15-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H2,12,14).
What are the key properties of 5-(1-phenoxypropyl)-1,3,4-thiadiazol-2-amine?
5-(1-phenoxypropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 235.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenoxypropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2771921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).