N-ethyl-3-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)propan-1-amine

C13H15N3OS2 — CID 80745146

IUPACN-ethyl-3-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
SMILESCCNCCCc1nnc(-c2cc3sccc3s2)o1
InChIInChI=1S/C13H15N3OS2/c1-2-14-6-3-4-12-15-16-13(17-12)11-8-10-9(19-11)5-7-18-10/h5,7-8,14H,2-4,6H2,1H3
InChIKeyRKGRFZLGXJXZTN-UHFFFAOYSA-N
MW293.42 g/mol
LogP3.55
Rot. Bonds6

About N-ethyl-3-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)propan-1-amine

N-ethyl-3-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)propan-1-amine (PubChem CID 80745146) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is N-ethyl-3-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
PubChem CID80745146
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC NameN-ethyl-3-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
SMILESCCNCCCc1nnc(-c2cc3sccc3s2)o1
InChIInChI=1S/C13H15N3OS2/c1-2-14-6-3-4-12-15-16-13(17-12)11-8-10-9(19-11)5-7-18-10/h5,7-8,14H,2-4,6H2,1H3
InChIKeyRKGRFZLGXJXZTN-UHFFFAOYSA-N
XLogP3.55
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-Propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole
CID 2739838
3-[5-(5-acetyl-2-thienyl)-1,3,4-oxadiazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 42189260
Thieno[3,2-b]thiophene, 2-(5-trifluoromethyl-1,3,4-oxadiazol-2-yl)-
CID 550467
N-(thiophen-2-ylmethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 859902
3-[5-(5-acetyl-2-thienyl)-1,3,4-oxadiazol-2-yl]-N-[3-(methylthio)propyl]propanamide
CID 26396888
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(3-thienylmethyl)propanamide
CID 42567051
3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-(thiophen-3-ylmethyl)propanamide
CID 56858308
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
CID 126462058
N-methyl-2-oxo-8-(5-thien-2-yl-1,3,4-oxadiazol-2-yl)octanamide
CID 70067759
2-Methyl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole
CID 2739829
N-(2-thiophen-2-ylethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7628588
N-[(1S)-1-thiophen-2-ylethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7981729

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The IUPAC name of N-ethyl-3-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)propan-1-amine (CID 80745146) is N-ethyl-3-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)propan-1-amine is CCNCCCc1nnc(-c2cc3sccc3s2)o1.
What is the InChIKey of N-ethyl-3-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The InChIKey is RKGRFZLGXJXZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-2-14-6-3-4-12-15-16-13(17-12)11-8-10-9(19-11)5-7-18-10/h5,7-8,14H,2-4,6H2,1H3.
What are the key properties of N-ethyl-3-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)propan-1-amine?
N-ethyl-3-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)propan-1-amine has a molecular weight of 293.42 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)propan-1-amine is sourced from PubChem (CID 80745146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).