2-[(5-butyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C13H19N5OS2 — CID 2985038

IUPAC2-[(5-butyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCCCc1nnc(SCC(=O)Nc2nccs2)n1CC
InChIInChI=1S/C13H19N5OS2/c1-3-5-6-10-16-17-13(18(10)4-2)21-9-11(19)15-12-14-7-8-20-12/h7-8H,3-6,9H2,1-2H3,(H,14,15,19)
InChIKeyCNUFSGJONYNCHV-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.83
Rot. Bonds8

About 2-[(5-butyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[(5-butyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 2985038) has the molecular formula C13H19N5OS2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-[(5-butyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-butyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID2985038
Molecular FormulaC13H19N5OS2
Molecular Weight325.46 g/mol
Exact Mass325.10
IUPAC Name2-[(5-butyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCCCc1nnc(SCC(=O)Nc2nccs2)n1CC
InChIInChI=1S/C13H19N5OS2/c1-3-5-6-10-16-17-13(18(10)4-2)21-9-11(19)15-12-14-7-8-20-12/h7-8H,3-6,9H2,1-2H3,(H,14,15,19)
InChIKeyCNUFSGJONYNCHV-UHFFFAOYSA-N
XLogP2.83
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(5-butyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 2994565
2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 6458326
2-((5-Cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-2-thiazolylacetamide
CID 6466212
2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 6467181
2-[(5-Cyclopropyl-4-ethyl-4H-1,2,4-triazol-3-yl)thio]-N-2-thiazolylacetamide
CID 6470969
2-[(4,5-diethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 6471089
2-(4-Ethyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-thiazol-2-yl-acetamide
CID 6501062
2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-N-1,3-thiazol-2-ylbutanamide
CID 2952251
2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 3892980
2-({4-ethyl-5-[(ethylthio)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-1,3-thiazol-2-ylacetamide
CID 2233239
2-[(5-butyl-4-methyl-4H-1,2,4-triazol-3-yl)thio]-N-1,3-thiazol-2-ylacetamide
CID 2986542
2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-1,3-thiazol-2-ylpropanamide
CID 2994444

Frequently Asked Questions

What is the IUPAC name of 2-[(5-butyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(5-butyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 2985038) is 2-[(5-butyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(5-butyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(5-butyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is CCCCc1nnc(SCC(=O)Nc2nccs2)n1CC.
What is the InChIKey of 2-[(5-butyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is CNUFSGJONYNCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS2/c1-3-5-6-10-16-17-13(18(10)4-2)21-9-11(19)15-12-14-7-8-20-12/h7-8H,3-6,9H2,1-2H3,(H,14,15,19).
What are the key properties of 2-[(5-butyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(5-butyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 325.46 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-butyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2985038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).