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

C13H18N6OS2 — CID 6467826

IUPAC2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCn1c(SCC(=O)Nc2nnc(C)s2)nnc1C1CC1
InChIInChI=1S/C13H18N6OS2/c1-3-6-19-11(9-4-5-9)16-18-13(19)21-7-10(20)14-12-17-15-8(2)22-12/h9H,3-7H2,1-2H3,(H,14,17,20)
InChIKeyAXVDBUCOXMYSJW-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.46
Rot. Bonds7

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

2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 6467826) has the molecular formula C13H18N6OS2 and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID6467826
Molecular FormulaC13H18N6OS2
Molecular Weight338.46 g/mol
Exact Mass338.10
IUPAC Name2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCn1c(SCC(=O)Nc2nnc(C)s2)nnc1C1CC1
InChIInChI=1S/C13H18N6OS2/c1-3-6-19-11(9-4-5-9)16-18-13(19)21-7-10(20)14-12-17-15-8(2)22-12/h9H,3-7H2,1-2H3,(H,14,17,20)
InChIKeyAXVDBUCOXMYSJW-UHFFFAOYSA-N
XLogP2.46
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 6465117
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 6468699
2-[(5-Cyclopropyl-4-isopropyl-4H-1,2,4-triazol-3-YL)sulfanyl]-N-(1,3,4-thiadiazol-2-YL)acetamide
CID 6469227
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 4106605
2-[(5-Cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6466045
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 6470582
2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 1122122
2-(5-cyclohexyl-4-ethyl(1,2,4-triazol-3-ylthio))-N-(5-ethyl(1,3,4-thiadiazol-2-yl))acetamide
CID 1156490
2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 855315
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 860731
2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 1451211
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1451298

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 6467826) is 2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-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-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is CCCn1c(SCC(=O)Nc2nnc(C)s2)nnc1C1CC1.
What is the InChIKey of 2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is AXVDBUCOXMYSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS2/c1-3-6-19-11(9-4-5-9)16-18-13(19)21-7-10(20)14-12-17-15-8(2)22-12/h9H,3-7H2,1-2H3,(H,14,17,20).
What are the key properties of 2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[(5-cyclopropyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 338.46 g/mol, XLogP of 2.46, 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-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 6467826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).