N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C7H7N5O2S3 — CID 3595175

IUPACN-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)NN1C(=O)CSC1=S
InChIInChI=1S/C7H7N5O2S3/c13-4(1-16-6-8-3-9-10-6)11-12-5(14)2-17-7(12)15/h3H,1-2H2,(H,11,13)(H,8,9,10)
InChIKeyVWLYUUJZZMUOOL-UHFFFAOYSA-N
MW289.37 g/mol
LogP-0.21
Rot. Bonds4

About N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 3595175) has the molecular formula C7H7N5O2S3 and a molecular weight of 289.37 g/mol. Its IUPAC name is N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID3595175
Molecular FormulaC7H7N5O2S3
Molecular Weight289.37 g/mol
Exact Mass288.98
IUPAC NameN-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESO=C(CSc1ncn[nH]1)NN1C(=O)CSC1=S
InChIInChI=1S/C7H7N5O2S3/c13-4(1-16-6-8-3-9-10-6)11-12-5(14)2-17-7(12)15/h3H,1-2H2,(H,11,13)(H,8,9,10)
InChIKeyVWLYUUJZZMUOOL-UHFFFAOYSA-N
XLogP-0.21
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 1907369
[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]thiourea
CID 91583118
(2Z)-2-(1H-1,2,4-triazol-5-ylimino)-1,3-thiazolidin-4-one
CID 155811958
N-(1,3,4-Thiadiazol-2-YL)-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide
CID 23820072
2-(1H-1,2,4-Triazol-5-ylthio)acetic acid hydrazide
CID 1282456
2-(1H-1,2,4-triazol-5-ylsulfanyl)-N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]acetohydrazide
CID 4293229
N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 7785173
1-(3-thioxodiaziridin-1-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone
CID 17598297
2-(4H-1,2,4-triazol-3-ylthio)propanohydrazide
CID 20787464
N-(1,2,4-triazol-4-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 23094821
(2R)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanehydrazide
CID 27059893
(2S)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanehydrazide
CID 27059895

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 3595175) is N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is O=C(CSc1ncn[nH]1)NN1C(=O)CSC1=S.
What is the InChIKey of N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is VWLYUUJZZMUOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2S3/c13-4(1-16-6-8-3-9-10-6)11-12-5(14)2-17-7(12)15/h3H,1-2H2,(H,11,13)(H,8,9,10).
What are the key properties of N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 289.37 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 3595175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).