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

C10H14N6OS2 — CID 6466198

IUPAC2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(SCC(=O)Nc2nncs2)n1C(C)C
InChIInChI=1S/C10H14N6OS2/c1-6(2)16-7(3)13-15-10(16)18-4-8(17)12-9-14-11-5-19-9/h5-6H,4H2,1-3H3,(H,12,14,17)
InChIKeyQQIZLPZBAWBDSI-UHFFFAOYSA-N
MW298.40 g/mol
LogP1.75
Rot. Bonds5

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

2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 6466198) has the molecular formula C10H14N6OS2 and a molecular weight of 298.40 g/mol. Its IUPAC name is 2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID6466198
Molecular FormulaC10H14N6OS2
Molecular Weight298.40 g/mol
Exact Mass298.07
IUPAC Name2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(SCC(=O)Nc2nncs2)n1C(C)C
InChIInChI=1S/C10H14N6OS2/c1-6(2)16-7(3)13-15-10(16)18-4-8(17)12-9-14-11-5-19-9/h5-6H,4H2,1-3H3,(H,12,14,17)
InChIKeyQQIZLPZBAWBDSI-UHFFFAOYSA-N
XLogP1.75
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 6466198) is 2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(SCC(=O)Nc2nncs2)n1C(C)C.
What is the InChIKey of 2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is QQIZLPZBAWBDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6OS2/c1-6(2)16-7(3)13-15-10(16)18-4-8(17)12-9-14-11-5-19-9/h5-6H,4H2,1-3H3,(H,12,14,17).
What are the key properties of 2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 298.40 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 6466198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).