2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]acetamide

C22H22N6OS2 — CID 2083948

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]acetamide
SMILESCCCc1ccc(-c2cc(NC(=O)CSc3nnc(N)s3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H22N6OS2/c1-2-6-15-9-11-16(12-10-15)18-13-19(28(27-18)17-7-4-3-5-8-17)24-20(29)14-30-22-26-25-21(23)31-22/h3-5,7-13H,2,6,14H2,1H3,(H2,23,25)(H,24,29)
InChIKeyGCFPQEXHGOHJGR-UHFFFAOYSA-N
MW450.59 g/mol
LogP4.66
Rot. Bonds8

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]acetamide (PubChem CID 2083948) has the molecular formula C22H22N6OS2 and a molecular weight of 450.59 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]acetamide
PubChem CID2083948
Molecular FormulaC22H22N6OS2
Molecular Weight450.59 g/mol
Exact Mass450.13
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]acetamide
SMILESCCCc1ccc(-c2cc(NC(=O)CSc3nnc(N)s3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H22N6OS2/c1-2-6-15-9-11-16(12-10-15)18-13-19(28(27-18)17-7-4-3-5-8-17)24-20(29)14-30-22-26-25-21(23)31-22/h3-5,7-13H,2,6,14H2,1H3,(H2,23,25)(H,24,29)
InChIKeyGCFPQEXHGOHJGR-UHFFFAOYSA-N
XLogP4.66
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]acetamide (CID 2083948) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]acetamide is CCCc1ccc(-c2cc(NC(=O)CSc3nnc(N)s3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]acetamide?
The InChIKey is GCFPQEXHGOHJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6OS2/c1-2-6-15-9-11-16(12-10-15)18-13-19(28(27-18)17-7-4-3-5-8-17)24-20(29)14-30-22-26-25-21(23)31-22/h3-5,7-13H,2,6,14H2,1H3,(H2,23,25)(H,24,29).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]acetamide has a molecular weight of 450.59 g/mol, XLogP of 4.66, 8 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-[1-phenyl-3-(4-propylphenyl)pyrazol-5-yl]acetamide is sourced from PubChem (CID 2083948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).