2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

C10H14N6OS2 — CID 712472

IUPAC2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)CSc2nncn2C)s1
InChIInChI=1S/C10H14N6OS2/c1-3-4-8-13-14-9(19-8)12-7(17)5-18-10-15-11-6-16(10)2/h6H,3-5H2,1-2H3,(H,12,14,17)
InChIKeyZEAXUNVDGJKACN-UHFFFAOYSA-N
MW298.40 g/mol
LogP1.35
Rot. Bonds6

About 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 712472) has the molecular formula C10H14N6OS2 and a molecular weight of 298.40 g/mol. Its IUPAC name is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID712472
Molecular FormulaC10H14N6OS2
Molecular Weight298.40 g/mol
Exact Mass298.07
IUPAC Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)CSc2nncn2C)s1
InChIInChI=1S/C10H14N6OS2/c1-3-4-8-13-14-9(19-8)12-7(17)5-18-10-15-11-6-16(10)2/h6H,3-5H2,1-2H3,(H,12,14,17)
InChIKeyZEAXUNVDGJKACN-UHFFFAOYSA-N
XLogP1.35
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide with MolForge

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Related Compounds

[5-[2-(4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)butyrylamino]-[1,3,4]thiadiazol-2-yl]acetic acid, ethyl ester
CID 4681808
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 3152696
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-(5-isopropyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 651054
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 652927
N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 767229
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 2033429
N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-(4H-1,2,4-triazol-3-ylthio)acetamide
CID 2258276
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 6468699
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 4106605
N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-2-(4H-1,2,4-triazol-3-ylthio)acetamide
CID 975703
ethyl [5-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-1,3,4-thiadiazol-2-yl]acetate
CID 2171439
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 3540339

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (CID 712472) is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is CCCc1nnc(NC(=O)CSc2nncn2C)s1.
What is the InChIKey of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is ZEAXUNVDGJKACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6OS2/c1-3-4-8-13-14-9(19-8)12-7(17)5-18-10-15-11-6-16(10)2/h6H,3-5H2,1-2H3,(H,12,14,17).
What are the key properties of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 298.40 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 712472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).