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

C15H24N4O2S — CID 944624

IUPACN-cyclohexyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCCCc1nnc(NC(=O)CCC(=O)NC2CCCCC2)s1
InChIInChI=1S/C15H24N4O2S/c1-2-6-14-18-19-15(22-14)17-13(21)10-9-12(20)16-11-7-4-3-5-8-11/h11H,2-10H2,1H3,(H,16,20)(H,17,19,21)
InChIKeyPZOLMIXQNHBJLT-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.66
Rot. Bonds7

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

N-cyclohexyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide (PubChem CID 944624) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-cyclohexyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
PubChem CID944624
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN-cyclohexyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCCCc1nnc(NC(=O)CCC(=O)NC2CCCCC2)s1
InChIInChI=1S/C15H24N4O2S/c1-2-6-14-18-19-15(22-14)17-13(21)10-9-12(20)16-11-7-4-3-5-8-11/h11H,2-10H2,1H3,(H,16,20)(H,17,19,21)
InChIKeyPZOLMIXQNHBJLT-UHFFFAOYSA-N
XLogP2.66
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide?
The IUPAC name of N-cyclohexyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide (CID 944624) is N-cyclohexyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide.
What is the SMILES notation for N-cyclohexyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide?
The canonical SMILES for N-cyclohexyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide is CCCc1nnc(NC(=O)CCC(=O)NC2CCCCC2)s1.
What is the InChIKey of N-cyclohexyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide?
The InChIKey is PZOLMIXQNHBJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-2-6-14-18-19-15(22-14)17-13(21)10-9-12(20)16-11-7-4-3-5-8-11/h11H,2-10H2,1H3,(H,16,20)(H,17,19,21).
What are the key properties of N-cyclohexyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide?
N-cyclohexyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide has a molecular weight of 324.45 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide is sourced from PubChem (CID 944624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).