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

C6H10N4OS — CID 79025534

IUPAC(2S)-2-amino-N-(1,3,4-thiadiazol-2-yl)butanamide
SMILESCC[C@H](N)C(=O)Nc1nncs1
InChIInChI=1S/C6H10N4OS/c1-2-4(7)5(11)9-6-10-8-3-12-6/h3-4H,2,7H2,1H3,(H,9,10,11)/t4-/m0/s1
InChIKeyOCJAFTGOOCFXEQ-BYPYZUCNSA-N
MW186.24 g/mol
LogP0.21
Rot. Bonds3

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

(2S)-2-amino-N-(1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 79025534) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is (2S)-2-amino-N-(1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1,3,4-thiadiazol-2-yl)butanamide
PubChem CID79025534
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC Name(2S)-2-amino-N-(1,3,4-thiadiazol-2-yl)butanamide
SMILESCC[C@H](N)C(=O)Nc1nncs1
InChIInChI=1S/C6H10N4OS/c1-2-4(7)5(11)9-6-10-8-3-12-6/h3-4H,2,7H2,1H3,(H,9,10,11)/t4-/m0/s1
InChIKeyOCJAFTGOOCFXEQ-BYPYZUCNSA-N
XLogP0.21
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 13145508
(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-amino-N-(1,3-thiazol-2-yl)butanamide
CID 43649283
(2R)-2-amino-N-(thiatriazol-5-yl)butanamide
CID 104982974
2-methyl-3-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 79196071
2-amino-N-(4-methyl-1,3-thiazol-5-yl)butanamide;dihydrochloride
CID 130804842
2-phenoxy-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 3155166
(2R)-N-(1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 51726125
2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
CID 61467509
2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
CID 115976440
(2S)-2-amino-N-(thiadiazol-5-yl)butanamide
CID 104982933

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of (2S)-2-amino-N-(1,3,4-thiadiazol-2-yl)butanamide (CID 79025534) is (2S)-2-amino-N-(1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(1,3,4-thiadiazol-2-yl)butanamide is CC[C@H](N)C(=O)Nc1nncs1.
What is the InChIKey of (2S)-2-amino-N-(1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is OCJAFTGOOCFXEQ-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10N4OS/c1-2-4(7)5(11)9-6-10-8-3-12-6/h3-4H,2,7H2,1H3,(H,9,10,11)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1,3,4-thiadiazol-2-yl)butanamide?
(2S)-2-amino-N-(1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 186.24 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 79025534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).