4-morpholin-4-yl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide

C11H13F3N4O3S — CID 944168

IUPAC4-morpholin-4-yl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESO=C(CCC(=O)N1CCOCC1)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C11H13F3N4O3S/c12-11(13,14)9-16-17-10(22-9)15-7(19)1-2-8(20)18-3-5-21-6-4-18/h1-6H2,(H,15,17,19)
InChIKeyDNRDSYMXPSCNBR-UHFFFAOYSA-N
MW338.31 g/mol
LogP1.13
Rot. Bonds4

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

4-morpholin-4-yl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide (PubChem CID 944168) has the molecular formula C11H13F3N4O3S and a molecular weight of 338.31 g/mol. Its IUPAC name is 4-morpholin-4-yl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-morpholin-4-yl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
PubChem CID944168
Molecular FormulaC11H13F3N4O3S
Molecular Weight338.31 g/mol
Exact Mass338.07
IUPAC Name4-morpholin-4-yl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESO=C(CCC(=O)N1CCOCC1)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C11H13F3N4O3S/c12-11(13,14)9-16-17-10(22-9)15-7(19)1-2-8(20)18-3-5-21-6-4-18/h1-6H2,(H,15,17,19)
InChIKeyDNRDSYMXPSCNBR-UHFFFAOYSA-N
XLogP1.13
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 51.13
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-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The IUPAC name of 4-morpholin-4-yl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide (CID 944168) is 4-morpholin-4-yl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide.
What is the SMILES notation for 4-morpholin-4-yl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The canonical SMILES for 4-morpholin-4-yl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide is O=C(CCC(=O)N1CCOCC1)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 4-morpholin-4-yl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The InChIKey is DNRDSYMXPSCNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O3S/c12-11(13,14)9-16-17-10(22-9)15-7(19)1-2-8(20)18-3-5-21-6-4-18/h1-6H2,(H,15,17,19).
What are the key properties of 4-morpholin-4-yl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide?
4-morpholin-4-yl-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide has a molecular weight of 338.31 g/mol, XLogP of 1.13, 4 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-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide is sourced from PubChem (CID 944168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).