N-(4-fluorophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide

C15H17FN4O2S — CID 663975

IUPACN-(4-fluorophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCCCc1nnc(NC(=O)CCC(=O)Nc2ccc(F)cc2)s1
InChIInChI=1S/C15H17FN4O2S/c1-2-3-14-19-20-15(23-14)18-13(22)9-8-12(21)17-11-6-4-10(16)5-7-11/h4-7H,2-3,8-9H2,1H3,(H,17,21)(H,18,20,22)
InChIKeyLJKNIGXCWKDUAO-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.99
Rot. Bonds7

About N-(4-fluorophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide

N-(4-fluorophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide (PubChem CID 663975) has the molecular formula C15H17FN4O2S and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
PubChem CID663975
Molecular FormulaC15H17FN4O2S
Molecular Weight336.39 g/mol
Exact Mass336.11
IUPAC NameN-(4-fluorophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCCCc1nnc(NC(=O)CCC(=O)Nc2ccc(F)cc2)s1
InChIInChI=1S/C15H17FN4O2S/c1-2-3-14-19-20-15(23-14)18-13(22)9-8-12(21)17-11-6-4-10(16)5-7-11/h4-7H,2-3,8-9H2,1H3,(H,17,21)(H,18,20,22)
InChIKeyLJKNIGXCWKDUAO-UHFFFAOYSA-N
XLogP2.99
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide?
The IUPAC name of N-(4-fluorophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide (CID 663975) is N-(4-fluorophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide.
What is the SMILES notation for N-(4-fluorophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide?
The canonical SMILES for N-(4-fluorophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide is CCCc1nnc(NC(=O)CCC(=O)Nc2ccc(F)cc2)s1.
What is the InChIKey of N-(4-fluorophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide?
The InChIKey is LJKNIGXCWKDUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2S/c1-2-3-14-19-20-15(23-14)18-13(22)9-8-12(21)17-11-6-4-10(16)5-7-11/h4-7H,2-3,8-9H2,1H3,(H,17,21)(H,18,20,22).
What are the key properties of N-(4-fluorophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide?
N-(4-fluorophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide has a molecular weight of 336.39 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide is sourced from PubChem (CID 663975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).