(2S)-2-amino-N-(thiatriazol-5-yl)propanamide

C4H7N5OS — CID 104982976

IUPAC(2S)-2-amino-N-(thiatriazol-5-yl)propanamide
SMILESC[C@H](N)C(=O)Nc1nnns1
InChIInChI=1S/C4H7N5OS/c1-2(5)3(10)6-4-7-8-9-11-4/h2H,5H2,1H3,(H,6,7,9,10)/t2-/m0/s1
InChIKeyGWHJGQMOQZZLBM-REOHCLBHSA-N
MW173.20 g/mol
LogP-0.78
Rot. Bonds2

About (2S)-2-amino-N-(thiatriazol-5-yl)propanamide

(2S)-2-amino-N-(thiatriazol-5-yl)propanamide (PubChem CID 104982976) has the molecular formula C4H7N5OS and a molecular weight of 173.20 g/mol. Its IUPAC name is (2S)-2-amino-N-(thiatriazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(thiatriazol-5-yl)propanamide
PubChem CID104982976
Molecular FormulaC4H7N5OS
Molecular Weight173.20 g/mol
Exact Mass173.04
IUPAC Name(2S)-2-amino-N-(thiatriazol-5-yl)propanamide
SMILESC[C@H](N)C(=O)Nc1nnns1
InChIInChI=1S/C4H7N5OS/c1-2(5)3(10)6-4-7-8-9-11-4/h2H,5H2,1H3,(H,6,7,9,10)/t2-/m0/s1
InChIKeyGWHJGQMOQZZLBM-REOHCLBHSA-N
XLogP-0.78
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-2-methyl-3-sulfanylidene-N-(thiatriazol-5-yl)propanamide
CID 114912683
(2R)-2-amino-N-(thiatriazol-5-yl)butanamide
CID 104982974
(2R)-2-amino-N-(thiatriazol-5-yl)pentanamide
CID 107570824
2-amino-2-methyl-N-(thiatriazol-5-yl)propanamide
CID 114912485
(2S)-2-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119279881
2-(thiatriazol-5-ylamino)propanoic acid
CID 117044463
2-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119279568
2-chloro-2-phenyl-N-(thiatriazol-5-yl)acetamide
CID 114912026
1-amino-N-(thiatriazol-5-yl)cyclopropane-1-carboxamide
CID 114912521
4-(propan-2-ylamino)-N-(thiatriazol-5-yl)butanamide
CID 114912385
N-prop-1-en-2-ylthiatriazol-5-amine
CID 163890294
(2R)-2-amino-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119338753

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(thiatriazol-5-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(thiatriazol-5-yl)propanamide (CID 104982976) is (2S)-2-amino-N-(thiatriazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(thiatriazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(thiatriazol-5-yl)propanamide is C[C@H](N)C(=O)Nc1nnns1.
What is the InChIKey of (2S)-2-amino-N-(thiatriazol-5-yl)propanamide?
The InChIKey is GWHJGQMOQZZLBM-REOHCLBHSA-N. The full InChI is InChI=1S/C4H7N5OS/c1-2(5)3(10)6-4-7-8-9-11-4/h2H,5H2,1H3,(H,6,7,9,10)/t2-/m0/s1.
What are the key properties of (2S)-2-amino-N-(thiatriazol-5-yl)propanamide?
(2S)-2-amino-N-(thiatriazol-5-yl)propanamide has a molecular weight of 173.20 g/mol, XLogP of -0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(thiatriazol-5-yl)propanamide is sourced from PubChem (CID 104982976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).