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

C13H24N4OS — CID 119679541

IUPAC(2S)-2-amino-4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide
SMILESCCC(CC)c1nnc(NC(=O)[C@@H](N)CC(C)C)s1
InChIInChI=1S/C13H24N4OS/c1-5-9(6-2)12-16-17-13(19-12)15-11(18)10(14)7-8(3)4/h8-10H,5-7,14H2,1-4H3,(H,15,17,18)/t10-/m0/s1
InChIKeyNTXZWOCBSAOCJV-JTQLQIEISA-N
MW284.43 g/mol
LogP2.75
Rot. Bonds7

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

(2S)-2-amino-4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide (PubChem CID 119679541) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide
PubChem CID119679541
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name(2S)-2-amino-4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide
SMILESCCC(CC)c1nnc(NC(=O)[C@@H](N)CC(C)C)s1
InChIInChI=1S/C13H24N4OS/c1-5-9(6-2)12-16-17-13(19-12)15-11(18)10(14)7-8(3)4/h8-10H,5-7,14H2,1-4H3,(H,15,17,18)/t10-/m0/s1
InChIKeyNTXZWOCBSAOCJV-JTQLQIEISA-N
XLogP2.75
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
2-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 4161855
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1086879
2,2,2-trifluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19194854
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-N'-propan-2-yloxamide
CID 47332757
1-(2-hydroxyethyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea
CID 110908064
(2S)-2-amino-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-4-methylpentanamide
CID 119787265
methyl 4-[5-[[(2S)-2-amino-4-methylpentanoyl]amino]-1,3,4-thiadiazol-2-yl]butanoate;hydrochloride
CID 119796372
(2S)-2-amino-4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 13145508
S-[1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl] ethanethioate
CID 17308981
2-amino-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide;hydrochloride
CID 120586738
4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675853

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide (CID 119679541) is (2S)-2-amino-4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide is CCC(CC)c1nnc(NC(=O)[C@@H](N)CC(C)C)s1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide?
The InChIKey is NTXZWOCBSAOCJV-JTQLQIEISA-N. The full InChI is InChI=1S/C13H24N4OS/c1-5-9(6-2)12-16-17-13(19-12)15-11(18)10(14)7-8(3)4/h8-10H,5-7,14H2,1-4H3,(H,15,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide?
(2S)-2-amino-4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide has a molecular weight of 284.43 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide is sourced from PubChem (CID 119679541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).