2-(4-formyltriazol-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide

C10H12N6O2S2 — CID 66214373

IUPAC2-(4-formyltriazol-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCCCSc1nsc(NC(=O)Cn2cc(C=O)nn2)n1
InChIInChI=1S/C10H12N6O2S2/c1-2-3-19-10-12-9(20-14-10)11-8(18)5-16-4-7(6-17)13-15-16/h4,6H,2-3,5H2,1H3,(H,11,12,14,18)
InChIKeyJWTCXOSIIXMIOW-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.08
Rot. Bonds7

About 2-(4-formyltriazol-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide

2-(4-formyltriazol-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide (PubChem CID 66214373) has the molecular formula C10H12N6O2S2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-(4-formyltriazol-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-formyltriazol-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
PubChem CID66214373
Molecular FormulaC10H12N6O2S2
Molecular Weight312.38 g/mol
Exact Mass312.05
IUPAC Name2-(4-formyltriazol-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCCCSc1nsc(NC(=O)Cn2cc(C=O)nn2)n1
InChIInChI=1S/C10H12N6O2S2/c1-2-3-19-10-12-9(20-14-10)11-8(18)5-16-4-7(6-17)13-15-16/h4,6H,2-3,5H2,1H3,(H,11,12,14,18)
InChIKeyJWTCXOSIIXMIOW-UHFFFAOYSA-N
XLogP1.08
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)urea
CID 130612870
2-(3-hydroxyazetidin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 63282354
2-methyl-2-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpropanoic acid
CID 81227681
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 103577112
2-(4-formyltriazol-1-yl)-N-(4-methylphenyl)acetamide
CID 66215783
3-methyl-2-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylbutanoic acid
CID 105354041
2-(2,2-dimethylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 65463198
2-(2-methylpiperazin-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 62672812
2-[2-(hydroxymethyl)piperidin-1-yl]-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide
CID 62021174
N-carbamoyl-2-(4-formyltriazol-1-yl)acetamide
CID 66214589
ethyl 4-amino-2-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]sulfanylpyrimidine-5-carboxylate
CID 41433376
2-methyl-2-[methyl-[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]propanoic acid
CID 62820361

Frequently Asked Questions

What is the IUPAC name of 2-(4-formyltriazol-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide?
The IUPAC name of 2-(4-formyltriazol-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide (CID 66214373) is 2-(4-formyltriazol-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-formyltriazol-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for 2-(4-formyltriazol-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide is CCCSc1nsc(NC(=O)Cn2cc(C=O)nn2)n1.
What is the InChIKey of 2-(4-formyltriazol-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide?
The InChIKey is JWTCXOSIIXMIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2S2/c1-2-3-19-10-12-9(20-14-10)11-8(18)5-16-4-7(6-17)13-15-16/h4,6H,2-3,5H2,1H3,(H,11,12,14,18).
What are the key properties of 2-(4-formyltriazol-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide?
2-(4-formyltriazol-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide has a molecular weight of 312.38 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyltriazol-1-yl)-N-(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)acetamide is sourced from PubChem (CID 66214373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).