2-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide

C13H23N3OS — CID 4161855

IUPAC2-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide
SMILESCCCC(C)C(=O)Nc1nnc(C(CC)CC)s1
InChIInChI=1S/C13H23N3OS/c1-5-8-9(4)11(17)14-13-16-15-12(18-13)10(6-2)7-3/h9-10H,5-8H2,1-4H3,(H,14,16,17)
InChIKeyVHUNSXYHXJAUCF-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.82
Rot. Bonds7

About 2-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide

2-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide (PubChem CID 4161855) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide.

Molecular Properties

Compound Name2-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide
PubChem CID4161855
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name2-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide
SMILESCCCC(C)C(=O)Nc1nnc(C(CC)CC)s1
InChIInChI=1S/C13H23N3OS/c1-5-8-9(4)11(17)14-13-16-15-12(18-13)10(6-2)7-3/h9-10H,5-8H2,1-4H3,(H,14,16,17)
InChIKeyVHUNSXYHXJAUCF-UHFFFAOYSA-N
XLogP3.82
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 119266054
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-N'-propan-2-yloxamide
CID 47332757
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1086879
(2S)-2-amino-4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 119679541
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide
CID 2932790
2,2,2-trifluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19194854
1-(2-hydroxyethyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea
CID 110908064
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methylpentanamide
CID 2932354
(2R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-methylpentanamide
CID 769207
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 79515533
2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
CID 122060590
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 132962669

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide?
The IUPAC name of 2-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide (CID 4161855) is 2-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide.
What is the SMILES notation for 2-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide?
The canonical SMILES for 2-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide is CCCC(C)C(=O)Nc1nnc(C(CC)CC)s1.
What is the InChIKey of 2-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide?
The InChIKey is VHUNSXYHXJAUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-5-8-9(4)11(17)14-13-16-15-12(18-13)10(6-2)7-3/h9-10H,5-8H2,1-4H3,(H,14,16,17).
What are the key properties of 2-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide?
2-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide has a molecular weight of 269.41 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide is sourced from PubChem (CID 4161855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).