2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide

C17H20N6OS2 — CID 2099679

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)CSc2nnc(N)s2)n(-c2ccccc2)n1
InChIInChI=1S/C17H20N6OS2/c1-17(2,3)12-9-13(23(22-12)11-7-5-4-6-8-11)19-14(24)10-25-16-21-20-15(18)26-16/h4-9H,10H2,1-3H3,(H2,18,20)(H,19,24)
InChIKeyORYUNZHQESLXMF-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.33
Rot. Bonds5

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide (PubChem CID 2099679) has the molecular formula C17H20N6OS2 and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
PubChem CID2099679
Molecular FormulaC17H20N6OS2
Molecular Weight388.52 g/mol
Exact Mass388.11
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)CSc2nnc(N)s2)n(-c2ccccc2)n1
InChIInChI=1S/C17H20N6OS2/c1-17(2,3)12-9-13(23(22-12)11-7-5-4-6-8-11)19-14(24)10-25-16-21-20-15(18)26-16/h4-9H,10H2,1-3H3,(H2,18,20)(H,19,24)
InChIKeyORYUNZHQESLXMF-UHFFFAOYSA-N
XLogP3.33
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-tert-butyl-1-phenylpyrazol-5-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-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide (CID 2099679) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide is CC(C)(C)c1cc(NC(=O)CSc2nnc(N)s2)n(-c2ccccc2)n1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide?
The InChIKey is ORYUNZHQESLXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS2/c1-17(2,3)12-9-13(23(22-12)11-7-5-4-6-8-11)19-14(24)10-25-16-21-20-15(18)26-16/h4-9H,10H2,1-3H3,(H2,18,20)(H,19,24).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide has a molecular weight of 388.52 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide is sourced from PubChem (CID 2099679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).