(2R)-2-amino-N-(thiatriazol-5-yl)butanamide

C5H9N5OS — CID 104982974

IUPAC(2R)-2-amino-N-(thiatriazol-5-yl)butanamide
SMILESCC[C@@H](N)C(=O)Nc1nnns1
InChIInChI=1S/C5H9N5OS/c1-2-3(6)4(11)7-5-8-9-10-12-5/h3H,2,6H2,1H3,(H,7,8,10,11)/t3-/m1/s1
InChIKeyLTKJTCCIPAZKPQ-GSVOUGTGSA-N
MW187.23 g/mol
LogP-0.39
Rot. Bonds3

About (2R)-2-amino-N-(thiatriazol-5-yl)butanamide

(2R)-2-amino-N-(thiatriazol-5-yl)butanamide (PubChem CID 104982974) has the molecular formula C5H9N5OS and a molecular weight of 187.23 g/mol. Its IUPAC name is (2R)-2-amino-N-(thiatriazol-5-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(thiatriazol-5-yl)butanamide
PubChem CID104982974
Molecular FormulaC5H9N5OS
Molecular Weight187.23 g/mol
Exact Mass187.05
IUPAC Name(2R)-2-amino-N-(thiatriazol-5-yl)butanamide
SMILESCC[C@@H](N)C(=O)Nc1nnns1
InChIInChI=1S/C5H9N5OS/c1-2-3(6)4(11)7-5-8-9-10-12-5/h3H,2,6H2,1H3,(H,7,8,10,11)/t3-/m1/s1
InChIKeyLTKJTCCIPAZKPQ-GSVOUGTGSA-N
XLogP-0.39
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-amino-N-(thiatriazol-5-yl)pentanamide
CID 107570824
(2S)-2-amino-N-(thiatriazol-5-yl)propanamide
CID 104982976
(2S)-2-amino-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 79025534
3-amino-2-methyl-3-sulfanylidene-N-(thiatriazol-5-yl)propanamide
CID 114912683
2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
CID 115976440
(2S)-2-amino-N-(thiadiazol-5-yl)butanamide
CID 104982933
2-amino-N-(1,3-thiazol-2-yl)butanamide
CID 43649283
2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
CID 61467509
2-amino-2-methyl-N-(thiatriazol-5-yl)propanamide
CID 114912485
(2S)-2-amino-N-(2H-tetrazol-5-yl)butanamide;hydrochloride
CID 130835173
(2S)-N-(5-acetyl-1,3-thiazol-2-yl)-2-aminobutanamide;hydrochloride
CID 119329727
2-amino-N-(4-methyl-1,3-thiazol-5-yl)butanamide;dihydrochloride
CID 130804842

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(thiatriazol-5-yl)butanamide?
The IUPAC name of (2R)-2-amino-N-(thiatriazol-5-yl)butanamide (CID 104982974) is (2R)-2-amino-N-(thiatriazol-5-yl)butanamide.
What is the SMILES notation for (2R)-2-amino-N-(thiatriazol-5-yl)butanamide?
The canonical SMILES for (2R)-2-amino-N-(thiatriazol-5-yl)butanamide is CC[C@@H](N)C(=O)Nc1nnns1.
What is the InChIKey of (2R)-2-amino-N-(thiatriazol-5-yl)butanamide?
The InChIKey is LTKJTCCIPAZKPQ-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H9N5OS/c1-2-3(6)4(11)7-5-8-9-10-12-5/h3H,2,6H2,1H3,(H,7,8,10,11)/t3-/m1/s1.
What are the key properties of (2R)-2-amino-N-(thiatriazol-5-yl)butanamide?
(2R)-2-amino-N-(thiatriazol-5-yl)butanamide has a molecular weight of 187.23 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(thiatriazol-5-yl)butanamide is sourced from PubChem (CID 104982974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).