4-morpholin-4-yl-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide

C13H20N4O3S — CID 941191

IUPAC4-morpholin-4-yl-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCC(C)c1nnc(NC(=O)CCC(=O)N2CCOCC2)s1
InChIInChI=1S/C13H20N4O3S/c1-9(2)12-15-16-13(21-12)14-10(18)3-4-11(19)17-5-7-20-8-6-17/h9H,3-8H2,1-2H3,(H,14,16,18)
InChIKeyDRVKCBGHGFAESW-UHFFFAOYSA-N
MW312.40 g/mol
LogP1.24
Rot. Bonds5

About 4-morpholin-4-yl-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide

4-morpholin-4-yl-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 941191) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is 4-morpholin-4-yl-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-morpholin-4-yl-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID941191
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name4-morpholin-4-yl-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCC(C)c1nnc(NC(=O)CCC(=O)N2CCOCC2)s1
InChIInChI=1S/C13H20N4O3S/c1-9(2)12-15-16-13(21-12)14-10(18)3-4-11(19)17-5-7-20-8-6-17/h9H,3-8H2,1-2H3,(H,14,16,18)
InChIKeyDRVKCBGHGFAESW-UHFFFAOYSA-N
XLogP1.24
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 4-morpholin-4-yl-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide (CID 941191) is 4-morpholin-4-yl-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 4-morpholin-4-yl-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 4-morpholin-4-yl-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide is CC(C)c1nnc(NC(=O)CCC(=O)N2CCOCC2)s1.
What is the InChIKey of 4-morpholin-4-yl-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is DRVKCBGHGFAESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-9(2)12-15-16-13(21-12)14-10(18)3-4-11(19)17-5-7-20-8-6-17/h9H,3-8H2,1-2H3,(H,14,16,18).
What are the key properties of 4-morpholin-4-yl-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
4-morpholin-4-yl-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 312.40 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 941191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).