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

C12H16N6OS2 — CID 17371589

IUPAC2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCn1c(SCC(=O)Nc2nncs2)nnc1C1CC1
InChIInChI=1S/C12H16N6OS2/c1-2-5-18-10(8-3-4-8)15-17-12(18)20-6-9(19)14-11-16-13-7-21-11/h7-8H,2-6H2,1H3,(H,14,16,19)
InChIKeyRFYFZCQIBFCVRV-UHFFFAOYSA-N
MW324.44 g/mol
LogP2.15
Rot. Bonds7

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

2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 17371589) has the molecular formula C12H16N6OS2 and a molecular weight of 324.44 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID17371589
Molecular FormulaC12H16N6OS2
Molecular Weight324.44 g/mol
Exact Mass324.08
IUPAC Name2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCn1c(SCC(=O)Nc2nncs2)nnc1C1CC1
InChIInChI=1S/C12H16N6OS2/c1-2-5-18-10(8-3-4-8)15-17-12(18)20-6-9(19)14-11-16-13-7-21-11/h7-8H,2-6H2,1H3,(H,14,16,19)
InChIKeyRFYFZCQIBFCVRV-UHFFFAOYSA-N
XLogP2.15
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 17371589) is 2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide is CCCn1c(SCC(=O)Nc2nncs2)nnc1C1CC1.
What is the InChIKey of 2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is RFYFZCQIBFCVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6OS2/c1-2-5-18-10(8-3-4-8)15-17-12(18)20-6-9(19)14-11-16-13-7-21-11/h7-8H,2-6H2,1H3,(H,14,16,19).
What are the key properties of 2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 324.44 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 17371589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).