5-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine

C15H20N4O2S — CID 146041827

IUPAC5-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(OCC2CCN(c3nnc(N)s3)CC2)cc1
InChIInChI=1S/C15H20N4O2S/c1-20-12-2-4-13(5-3-12)21-10-11-6-8-19(9-7-11)15-18-17-14(16)22-15/h2-5,11H,6-10H2,1H3,(H2,16,17)
InChIKeyLFVKNYGCNCIYLB-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.42
Rot. Bonds5

About 5-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine

5-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 146041827) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 5-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine
PubChem CID146041827
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name5-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(OCC2CCN(c3nnc(N)s3)CC2)cc1
InChIInChI=1S/C15H20N4O2S/c1-20-12-2-4-13(5-3-12)21-10-11-6-8-19(9-7-11)15-18-17-14(16)22-15/h2-5,11H,6-10H2,1H3,(H2,16,17)
InChIKeyLFVKNYGCNCIYLB-UHFFFAOYSA-N
XLogP2.42
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine
CID 146040538
4,7-dimethoxy-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-1,3-benzothiazole
CID 171704465
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone
CID 98132744
[(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone
CID 92596332
1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-ol
CID 68709720
5-[2-[(4-methoxyphenyl)methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-1,3,4-thiadiazol-2-amine
CID 146042679
5-[4-(2-phenoxyethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine
CID 146040653
4-methoxy-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-1,3-benzothiazole
CID 171705378
2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 133464861
4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
CID 23724366
methyl 4-[[1-(5-methoxy-2-pyridinyl)piperidin-4-yl]methoxy]benzoate
CID 90086503
2-(4-methoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 53317859

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine (CID 146041827) is 5-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine is COc1ccc(OCC2CCN(c3nnc(N)s3)CC2)cc1.
What is the InChIKey of 5-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is LFVKNYGCNCIYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-20-12-2-4-13(5-3-12)21-10-11-6-8-19(9-7-11)15-18-17-14(16)22-15/h2-5,11H,6-10H2,1H3,(H2,16,17).
What are the key properties of 5-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine?
5-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 320.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 146041827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).