N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanediamide

C20H26N4O2S — CID 4919628

IUPACN'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanediamide
SMILESCC(C)Cc1nnc(NC(=O)CCC(=O)NC2CCCc3ccccc32)s1
InChIInChI=1S/C20H26N4O2S/c1-13(2)12-19-23-24-20(27-19)22-18(26)11-10-17(25)21-16-9-5-7-14-6-3-4-8-15(14)16/h3-4,6,8,13,16H,5,7,9-12H2,1-2H3,(H,21,25)(H,22,24,26)
InChIKeyLOFDLGSSXQOWLJ-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.65
Rot. Bonds7

About N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanediamide

N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanediamide (PubChem CID 4919628) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanediamide.

Molecular Properties

Compound NameN'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanediamide
PubChem CID4919628
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanediamide
SMILESCC(C)Cc1nnc(NC(=O)CCC(=O)NC2CCCc3ccccc32)s1
InChIInChI=1S/C20H26N4O2S/c1-13(2)12-19-23-24-20(27-19)22-18(26)11-10-17(25)21-16-9-5-7-14-6-3-4-8-15(14)16/h3-4,6,8,13,16H,5,7,9-12H2,1-2H3,(H,21,25)(H,22,24,26)
InChIKeyLOFDLGSSXQOWLJ-UHFFFAOYSA-N
XLogP3.65
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanediamide?
The IUPAC name of N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanediamide (CID 4919628) is N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanediamide.
What is the SMILES notation for N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanediamide?
The canonical SMILES for N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanediamide is CC(C)Cc1nnc(NC(=O)CCC(=O)NC2CCCc3ccccc32)s1.
What is the InChIKey of N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanediamide?
The InChIKey is LOFDLGSSXQOWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-13(2)12-19-23-24-20(27-19)22-18(26)11-10-17(25)21-16-9-5-7-14-6-3-4-8-15(14)16/h3-4,6,8,13,16H,5,7,9-12H2,1-2H3,(H,21,25)(H,22,24,26).
What are the key properties of N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanediamide?
N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanediamide has a molecular weight of 386.52 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanediamide is sourced from PubChem (CID 4919628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).