(2S)-2-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide;hydrobromide

C5H10BrN5O3S2 — CID 18642236

IUPAC(2S)-2-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide;hydrobromide
SMILESBr.C[C@H](N)C(=O)Nc1nnc(S(N)(=O)=O)s1
InChIInChI=1S/C5H9N5O3S2.BrH/c1-2(6)3(11)8-4-9-10-5(14-4)15(7,12)13;/h2H,6H2,1H3,(H2,7,12,13)(H,8,9,11);1H/t2-;/m0./s1
InChIKeyVNUQKDFZLNFKST-DKWTVANSSA-N
MW332.21 g/mol
LogP-0.95
Rot. Bonds3

About (2S)-2-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide;hydrobromide

(2S)-2-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide;hydrobromide (PubChem CID 18642236) has the molecular formula C5H10BrN5O3S2 and a molecular weight of 332.21 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide;hydrobromide.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide;hydrobromide
PubChem CID18642236
Molecular FormulaC5H10BrN5O3S2
Molecular Weight332.21 g/mol
Exact Mass330.94
IUPAC Name(2S)-2-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide;hydrobromide
SMILESBr.C[C@H](N)C(=O)Nc1nnc(S(N)(=O)=O)s1
InChIInChI=1S/C5H9N5O3S2.BrH/c1-2(6)3(11)8-4-9-10-5(14-4)15(7,12)13;/h2H,6H2,1H3,(H2,7,12,13)(H,8,9,11);1H/t2-;/m0./s1
InChIKeyVNUQKDFZLNFKST-DKWTVANSSA-N
XLogP-0.95
TPSA141.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

2,2-diamino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
CID 130452184
(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamothioic S-acid
CID 123430728
(2S)-2-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119279881
[2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]azanium bromide
CID 15041395
2-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119279568
3-chloro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
CID 54476371
1,2,2,3-tetramethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 21113546
N-[3-oxo-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]propyl]-2-propylpentanamide
CID 11760610
4-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide
CID 10015713
(2R)-2-amino-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 119338754
2-amino-N-[2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]acetamide
CID 10827620
1-(2-chloroethyl)-3-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)urea
CID 3734828

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide;hydrobromide?
The IUPAC name of (2S)-2-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide;hydrobromide (CID 18642236) is (2S)-2-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide;hydrobromide.
What is the SMILES notation for (2S)-2-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide;hydrobromide?
The canonical SMILES for (2S)-2-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide;hydrobromide is Br.C[C@H](N)C(=O)Nc1nnc(S(N)(=O)=O)s1.
What is the InChIKey of (2S)-2-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide;hydrobromide?
The InChIKey is VNUQKDFZLNFKST-DKWTVANSSA-N. The full InChI is InChI=1S/C5H9N5O3S2.BrH/c1-2(6)3(11)8-4-9-10-5(14-4)15(7,12)13;/h2H,6H2,1H3,(H2,7,12,13)(H,8,9,11);1H/t2-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide;hydrobromide?
(2S)-2-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide;hydrobromide has a molecular weight of 332.21 g/mol, XLogP of -0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide;hydrobromide is sourced from PubChem (CID 18642236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).