2-(diethylamino)ethyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate

C15H26N4O3S — CID 3065355

IUPAC2-(diethylamino)ethyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate
SMILESCCN(CC)CCOC(=O)CCC(=O)Nc1nnc(C(C)C)s1
InChIInChI=1S/C15H26N4O3S/c1-5-19(6-2)9-10-22-13(21)8-7-12(20)16-15-18-17-14(23-15)11(3)4/h11H,5-10H2,1-4H3,(H,16,18,20)
InChIKeyBXUFTUOIOLHFFU-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.27
Rot. Bonds10

About 2-(diethylamino)ethyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate

2-(diethylamino)ethyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate (PubChem CID 3065355) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate
PubChem CID3065355
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name2-(diethylamino)ethyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate
SMILESCCN(CC)CCOC(=O)CCC(=O)Nc1nnc(C(C)C)s1
InChIInChI=1S/C15H26N4O3S/c1-5-19(6-2)9-10-22-13(21)8-7-12(20)16-15-18-17-14(23-15)11(3)4/h11H,5-10H2,1-4H3,(H,16,18,20)
InChIKeyBXUFTUOIOLHFFU-UHFFFAOYSA-N
XLogP2.27
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate?
The IUPAC name of 2-(diethylamino)ethyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate (CID 3065355) is 2-(diethylamino)ethyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate.
What is the SMILES notation for 2-(diethylamino)ethyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate?
The canonical SMILES for 2-(diethylamino)ethyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate is CCN(CC)CCOC(=O)CCC(=O)Nc1nnc(C(C)C)s1.
What is the InChIKey of 2-(diethylamino)ethyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate?
The InChIKey is BXUFTUOIOLHFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-5-19(6-2)9-10-22-13(21)8-7-12(20)16-15-18-17-14(23-15)11(3)4/h11H,5-10H2,1-4H3,(H,16,18,20).
What are the key properties of 2-(diethylamino)ethyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate?
2-(diethylamino)ethyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate has a molecular weight of 342.47 g/mol, XLogP of 2.27, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate is sourced from PubChem (CID 3065355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).