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

C20H22N4O2S — CID 1399795

IUPACN'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-naphthalen-1-ylbutanediamide
SMILESCC(C)Cc1nnc(NC(=O)CCC(=O)Nc2cccc3ccccc23)s1
InChIInChI=1S/C20H22N4O2S/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/h3-9,13H,10-12H2,1-2H3,(H,21,25)(H,22,24,26)
InChIKeyIWDHQJPXAGDILR-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.25
Rot. Bonds7

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

N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-naphthalen-1-ylbutanediamide (PubChem CID 1399795) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-naphthalen-1-ylbutanediamide.

Molecular Properties

Compound NameN'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-naphthalen-1-ylbutanediamide
PubChem CID1399795
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-naphthalen-1-ylbutanediamide
SMILESCC(C)Cc1nnc(NC(=O)CCC(=O)Nc2cccc3ccccc23)s1
InChIInChI=1S/C20H22N4O2S/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/h3-9,13H,10-12H2,1-2H3,(H,21,25)(H,22,24,26)
InChIKeyIWDHQJPXAGDILR-UHFFFAOYSA-N
XLogP4.25
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromo-4-methylphenyl)-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide
CID 4646070
3-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 103601483
3-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylbutanamide
CID 110024955
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 825378
2-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 8750095
2-(benzenesulfonyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17257226
4-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxobutanamide
CID 71914400
2-(2-methoxyphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 3388491
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 24647730
2-(methylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 91654516
2,3-dihydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 104931749

Frequently Asked Questions

What is the IUPAC name of N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-naphthalen-1-ylbutanediamide?
The IUPAC name of N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-naphthalen-1-ylbutanediamide (CID 1399795) is N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-naphthalen-1-ylbutanediamide.
What is the SMILES notation for N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-naphthalen-1-ylbutanediamide?
The canonical SMILES for N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-naphthalen-1-ylbutanediamide is CC(C)Cc1nnc(NC(=O)CCC(=O)Nc2cccc3ccccc23)s1.
What is the InChIKey of N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-naphthalen-1-ylbutanediamide?
The InChIKey is IWDHQJPXAGDILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/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/h3-9,13H,10-12H2,1-2H3,(H,21,25)(H,22,24,26).
What are the key properties of N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-naphthalen-1-ylbutanediamide?
N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-naphthalen-1-ylbutanediamide has a molecular weight of 382.49 g/mol, XLogP of 4.25, 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-naphthalen-1-ylbutanediamide is sourced from PubChem (CID 1399795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).