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

C14H19N3OS — CID 65276914

IUPACN-(3-phenoxypropyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCCCOc2ccccc2)n1
InChIInChI=1S/C14H19N3OS/c1-11(2)13-16-14(19-17-13)15-9-6-10-18-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,15,16,17)
InChIKeyODMZCNXVPJLGEN-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.54
Rot. Bonds7

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

N-(3-phenoxypropyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65276914) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(3-phenoxypropyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3-phenoxypropyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65276914
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-(3-phenoxypropyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCCCOc2ccccc2)n1
InChIInChI=1S/C14H19N3OS/c1-11(2)13-16-14(19-17-13)15-9-6-10-18-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,15,16,17)
InChIKeyODMZCNXVPJLGEN-UHFFFAOYSA-N
XLogP3.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(2-phenoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267869
N'-methyl-N'-phenyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65270963
3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269095
4-bromo-N-(3-phenoxypropyl)-1,3-thiazol-2-amine
CID 79400626
N-(5-chloro-4-methylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 106154768
N-(5-methylsulfanylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 104925633
6-methyl-N-(3-phenoxypropyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 47164504
5-bromo-N-(3-phenoxypropyl)-1,3,4-thiadiazol-2-amine
CID 64622861
N-(2-phenoxyethyl)-2-propan-2-ylaniline
CID 39357817
5-methyl-4-N-(2-phenoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983631
N-[[2-(difluoromethoxy)phenyl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 133370013
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133

Frequently Asked Questions

What is the IUPAC name of N-(3-phenoxypropyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3-phenoxypropyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65276914) is N-(3-phenoxypropyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3-phenoxypropyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3-phenoxypropyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(NCCCOc2ccccc2)n1.
What is the InChIKey of N-(3-phenoxypropyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is ODMZCNXVPJLGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-11(2)13-16-14(19-17-13)15-9-6-10-18-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,15,16,17).
What are the key properties of N-(3-phenoxypropyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-(3-phenoxypropyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 277.39 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxypropyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65276914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).