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

C8H14N4OS — CID 104982930

IUPAC(2S,3S)-2-amino-3-methyl-N-(thiadiazol-5-yl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1cnns1
InChIInChI=1S/C8H14N4OS/c1-3-5(2)7(9)8(13)11-6-4-10-12-14-6/h4-5,7H,3,9H2,1-2H3,(H,11,13)/t5-,7-/m0/s1
InChIKeyVORVCAQJVGFLGC-FSPLSTOPSA-N
MW214.29 g/mol
LogP0.85
Rot. Bonds4

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

(2S,3S)-2-amino-3-methyl-N-(thiadiazol-5-yl)pentanamide (PubChem CID 104982930) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-(thiadiazol-5-yl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-(thiadiazol-5-yl)pentanamide
PubChem CID104982930
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name(2S,3S)-2-amino-3-methyl-N-(thiadiazol-5-yl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1cnns1
InChIInChI=1S/C8H14N4OS/c1-3-5(2)7(9)8(13)11-6-4-10-12-14-6/h4-5,7H,3,9H2,1-2H3,(H,11,13)/t5-,7-/m0/s1
InChIKeyVORVCAQJVGFLGC-FSPLSTOPSA-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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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-(thiadiazol-5-yl)pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-(thiadiazol-5-yl)pentanamide (CID 104982930) is (2S,3S)-2-amino-3-methyl-N-(thiadiazol-5-yl)pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-(thiadiazol-5-yl)pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-(thiadiazol-5-yl)pentanamide is CC[C@H](C)[C@H](N)C(=O)Nc1cnns1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-(thiadiazol-5-yl)pentanamide?
The InChIKey is VORVCAQJVGFLGC-FSPLSTOPSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-3-5(2)7(9)8(13)11-6-4-10-12-14-6/h4-5,7H,3,9H2,1-2H3,(H,11,13)/t5-,7-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-(thiadiazol-5-yl)pentanamide?
(2S,3S)-2-amino-3-methyl-N-(thiadiazol-5-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,3S)-2-amino-3-methyl-N-(thiadiazol-5-yl)pentanamide is sourced from PubChem (CID 104982930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).