3-amino-2-methyl-3-sulfanylidene-N-(thiatriazol-5-yl)propanamide

C5H7N5OS2 — CID 114912683

IUPAC3-amino-2-methyl-3-sulfanylidene-N-(thiatriazol-5-yl)propanamide
SMILESCC(C(=O)Nc1nnns1)C(N)=S
InChIInChI=1S/C5H7N5OS2/c1-2(3(6)12)4(11)7-5-8-9-10-13-5/h2H,1H3,(H2,6,12)(H,7,8,10,11)
InChIKeySZPKQGNWQDQCAZ-UHFFFAOYSA-N
MW217.28 g/mol
LogP-0.21
Rot. Bonds3

About 3-amino-2-methyl-3-sulfanylidene-N-(thiatriazol-5-yl)propanamide

3-amino-2-methyl-3-sulfanylidene-N-(thiatriazol-5-yl)propanamide (PubChem CID 114912683) has the molecular formula C5H7N5OS2 and a molecular weight of 217.28 g/mol. Its IUPAC name is 3-amino-2-methyl-3-sulfanylidene-N-(thiatriazol-5-yl)propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-3-sulfanylidene-N-(thiatriazol-5-yl)propanamide
PubChem CID114912683
Molecular FormulaC5H7N5OS2
Molecular Weight217.28 g/mol
Exact Mass217.01
IUPAC Name3-amino-2-methyl-3-sulfanylidene-N-(thiatriazol-5-yl)propanamide
SMILESCC(C(=O)Nc1nnns1)C(N)=S
InChIInChI=1S/C5H7N5OS2/c1-2(3(6)12)4(11)7-5-8-9-10-13-5/h2H,1H3,(H2,6,12)(H,7,8,10,11)
InChIKeySZPKQGNWQDQCAZ-UHFFFAOYSA-N
XLogP-0.21
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(thiatriazol-5-yl)propanamide
CID 104982976
(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
2-(thiatriazol-5-ylamino)propanoic acid
CID 117044463
1-carbamothioyl-N-(thiatriazol-5-yl)cyclopentane-1-carboxamide
CID 114912682
2-chloro-2-phenyl-N-(thiatriazol-5-yl)acetamide
CID 114912026
1-carbamothioyl-N-(thiatriazol-5-yl)cyclobutane-1-carboxamide
CID 114912668
3-amino-2-methyl-3-sulfanylidene-N-(2,4,5-trifluorophenyl)propanamide
CID 62815576
3-amino-2-methyl-3-sulfanylidene-N-(1,2,4-triazin-3-yl)propanamide
CID 114388038
1-amino-N-(thiatriazol-5-yl)cyclopropane-1-carboxamide
CID 114912521
4-(propan-2-ylamino)-N-(thiatriazol-5-yl)butanamide
CID 114912385

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-3-sulfanylidene-N-(thiatriazol-5-yl)propanamide?
The IUPAC name of 3-amino-2-methyl-3-sulfanylidene-N-(thiatriazol-5-yl)propanamide (CID 114912683) is 3-amino-2-methyl-3-sulfanylidene-N-(thiatriazol-5-yl)propanamide.
What is the SMILES notation for 3-amino-2-methyl-3-sulfanylidene-N-(thiatriazol-5-yl)propanamide?
The canonical SMILES for 3-amino-2-methyl-3-sulfanylidene-N-(thiatriazol-5-yl)propanamide is CC(C(=O)Nc1nnns1)C(N)=S.
What is the InChIKey of 3-amino-2-methyl-3-sulfanylidene-N-(thiatriazol-5-yl)propanamide?
The InChIKey is SZPKQGNWQDQCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5OS2/c1-2(3(6)12)4(11)7-5-8-9-10-13-5/h2H,1H3,(H2,6,12)(H,7,8,10,11).
What are the key properties of 3-amino-2-methyl-3-sulfanylidene-N-(thiatriazol-5-yl)propanamide?
3-amino-2-methyl-3-sulfanylidene-N-(thiatriazol-5-yl)propanamide has a molecular weight of 217.28 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-3-sulfanylidene-N-(thiatriazol-5-yl)propanamide is sourced from PubChem (CID 114912683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).