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

C19H24N4O2S — CID 1399783

IUPACN-benzyl-N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESO=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)NCc1ccccc1
InChIInChI=1S/C19H24N4O2S/c24-16(20-13-14-7-3-1-4-8-14)11-12-17(25)21-19-23-22-18(26-19)15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,20,24)(H,21,23,25)
InChIKeyJSTDDKHKKOWRFF-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.62
Rot. Bonds7

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

N-benzyl-N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanediamide (PubChem CID 1399783) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-benzyl-N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN-benzyl-N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanediamide
PubChem CID1399783
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-benzyl-N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESO=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)NCc1ccccc1
InChIInChI=1S/C19H24N4O2S/c24-16(20-13-14-7-3-1-4-8-14)11-12-17(25)21-19-23-22-18(26-19)15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,20,24)(H,21,23,25)
InChIKeyJSTDDKHKKOWRFF-UHFFFAOYSA-N
XLogP3.62
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanediamide?
The IUPAC name of N-benzyl-N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanediamide (CID 1399783) is N-benzyl-N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanediamide.
What is the SMILES notation for N-benzyl-N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanediamide?
The canonical SMILES for N-benzyl-N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanediamide is O=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)NCc1ccccc1.
What is the InChIKey of N-benzyl-N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanediamide?
The InChIKey is JSTDDKHKKOWRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c24-16(20-13-14-7-3-1-4-8-14)11-12-17(25)21-19-23-22-18(26-19)15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,20,24)(H,21,23,25).
What are the key properties of N-benzyl-N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanediamide?
N-benzyl-N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanediamide has a molecular weight of 372.49 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanediamide is sourced from PubChem (CID 1399783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).