N-cyclopentyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide

C13H20N4O2S — CID 941794

IUPACN-cyclopentyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCCc1nnc(NC(=O)CCC(=O)NC2CCCC2)s1
InChIInChI=1S/C13H20N4O2S/c1-2-12-16-17-13(20-12)15-11(19)8-7-10(18)14-9-5-3-4-6-9/h9H,2-8H2,1H3,(H,14,18)(H,15,17,19)
InChIKeyBYUZELQMYCJUOG-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.88
Rot. Bonds6

About N-cyclopentyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide

N-cyclopentyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide (PubChem CID 941794) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-cyclopentyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
PubChem CID941794
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC NameN-cyclopentyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCCc1nnc(NC(=O)CCC(=O)NC2CCCC2)s1
InChIInChI=1S/C13H20N4O2S/c1-2-12-16-17-13(20-12)15-11(19)8-7-10(18)14-9-5-3-4-6-9/h9H,2-8H2,1H3,(H,14,18)(H,15,17,19)
InChIKeyBYUZELQMYCJUOG-UHFFFAOYSA-N
XLogP1.88
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide?
The IUPAC name of N-cyclopentyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide (CID 941794) is N-cyclopentyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide.
What is the SMILES notation for N-cyclopentyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide?
The canonical SMILES for N-cyclopentyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide is CCc1nnc(NC(=O)CCC(=O)NC2CCCC2)s1.
What is the InChIKey of N-cyclopentyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide?
The InChIKey is BYUZELQMYCJUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-2-12-16-17-13(20-12)15-11(19)8-7-10(18)14-9-5-3-4-6-9/h9H,2-8H2,1H3,(H,14,18)(H,15,17,19).
What are the key properties of N-cyclopentyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide?
N-cyclopentyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide has a molecular weight of 296.40 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide is sourced from PubChem (CID 941794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).