N-[2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine

C11H18F3N3OS — CID 103213374

IUPACN-[2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1nnc(CCOCC(F)(F)F)s1
InChIInChI=1S/C11H18F3N3OS/c1-2-5-15-6-3-9-16-17-10(19-9)4-7-18-8-11(12,13)14/h15H,2-8H2,1H3
InChIKeyUWVZLZRTFNFOES-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.20
Rot. Bonds9

About N-[2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine

N-[2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine (PubChem CID 103213374) has the molecular formula C11H18F3N3OS and a molecular weight of 297.35 g/mol. Its IUPAC name is N-[2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
PubChem CID103213374
Molecular FormulaC11H18F3N3OS
Molecular Weight297.35 g/mol
Exact Mass297.11
IUPAC NameN-[2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1nnc(CCOCC(F)(F)F)s1
InChIInChI=1S/C11H18F3N3OS/c1-2-5-15-6-3-9-16-17-10(19-9)4-7-18-8-11(12,13)14/h15H,2-8H2,1H3
InChIKeyUWVZLZRTFNFOES-UHFFFAOYSA-N
XLogP2.20
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.20
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

2-methyl-N-[2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine
CID 103213385
N-[[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 103213337
N-[[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103150649
N-[2-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 103022781
N-(2-methoxyethyl)-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 104633095
N-[[4-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 103150625
N'-methyl-N-propyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]ethane-1,2-diamine
CID 62591348
4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole
CID 103151266
3,3-dimethyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 83139215
5-(propylaminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961582
N-propyl-3-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 113435287
2,2-diethyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62724048

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine (CID 103213374) is N-[2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine is CCCNCCc1nnc(CCOCC(F)(F)F)s1.
What is the InChIKey of N-[2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine?
The InChIKey is UWVZLZRTFNFOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3OS/c1-2-5-15-6-3-9-16-17-10(19-9)4-7-18-8-11(12,13)14/h15H,2-8H2,1H3.
What are the key properties of N-[2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine?
N-[2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine has a molecular weight of 297.35 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 103213374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).