2-[(4-butyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C16H19N5O2S2 — CID 3181374

IUPAC2-[(4-butyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCCCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1cccs1
InChIInChI=1S/C16H19N5O2S2/c1-3-4-7-21-15(12-6-5-8-24-12)18-19-16(21)25-10-14(22)17-13-9-11(2)23-20-13/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,17,20,22)
InChIKeyQNAGCUGZWQJFKV-UHFFFAOYSA-N
MW377.50 g/mol
LogP3.83
Rot. Bonds8

About 2-[(4-butyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[(4-butyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 3181374) has the molecular formula C16H19N5O2S2 and a molecular weight of 377.50 g/mol. Its IUPAC name is 2-[(4-butyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(4-butyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID3181374
Molecular FormulaC16H19N5O2S2
Molecular Weight377.50 g/mol
Exact Mass377.10
IUPAC Name2-[(4-butyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCCCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1cccs1
InChIInChI=1S/C16H19N5O2S2/c1-3-4-7-21-15(12-6-5-8-24-12)18-19-16(21)25-10-14(22)17-13-9-11(2)23-20-13/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,17,20,22)
InChIKeyQNAGCUGZWQJFKV-UHFFFAOYSA-N
XLogP3.83
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(4-butyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(4-butyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 3181374) is 2-[(4-butyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(4-butyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(4-butyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCCCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1cccs1.
What is the InChIKey of 2-[(4-butyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is QNAGCUGZWQJFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S2/c1-3-4-7-21-15(12-6-5-8-24-12)18-19-16(21)25-10-14(22)17-13-9-11(2)23-20-13/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,17,20,22).
What are the key properties of 2-[(4-butyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[(4-butyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 377.50 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 3181374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).