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

C8H14N4OS — CID 13145508

IUPAC(2S)-2-amino-4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1nncs1
InChIInChI=1S/C8H14N4OS/c1-5(2)3-6(9)7(13)11-8-12-10-4-14-8/h4-6H,3,9H2,1-2H3,(H,11,12,13)/t6-/m0/s1
InChIKeyKDIJRZLPNIBMLN-LURJTMIESA-N
MW214.29 g/mol
LogP0.85
Rot. Bonds4

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

(2S)-2-amino-4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide (PubChem CID 13145508) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
PubChem CID13145508
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name(2S)-2-amino-4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1nncs1
InChIInChI=1S/C8H14N4OS/c1-5(2)3-6(9)7(13)11-8-12-10-4-14-8/h4-6H,3,9H2,1-2H3,(H,11,12,13)/t6-/m0/s1
InChIKeyKDIJRZLPNIBMLN-LURJTMIESA-N
XLogP0.85
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 79025534
(2S)-2-amino-3-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 61174043
(2R)-2-amino-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 70531106
2-methyl-3-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 79196071
4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 44791054
1-[(2R)-2-hydroxy-4-methylpentyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 95977557
(2R)-2-amino-4-methyl-N-(1H-pyrazol-4-yl)pentanamide
CID 83618000
(2S)-2-amino-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-4-methylpentanamide
CID 119787265
(2S)-2-amino-4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 119679541
ethyl 2-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 119672769
(2S)-2-amino-4-methyl-N-(5-nitro-1,3-thiazol-2-yl)pentanamide
CID 110482466
(2S)-2-amino-4-methyl-N-pyrimidin-5-ylpentanamide
CID 107588618

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide (CID 13145508) is (2S)-2-amino-4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide is CC(C)C[C@H](N)C(=O)Nc1nncs1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide?
The InChIKey is KDIJRZLPNIBMLN-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N4OS/c1-5(2)3-6(9)7(13)11-8-12-10-4-14-8/h4-6H,3,9H2,1-2H3,(H,11,12,13)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide?
(2S)-2-amino-4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide has a molecular weight of 214.29 g/mol, XLogP of 0.85, 4 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-(1,3,4-thiadiazol-2-yl)pentanamide is sourced from PubChem (CID 13145508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).