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

C23H23N5OS2 — CID 2488773

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide
SMILESCc1nnc(SCC(=O)Nc2cc(-c3cc(C)c(C)cc3C)nn2-c2ccccc2)s1
InChIInChI=1S/C23H23N5OS2/c1-14-10-16(3)19(11-15(14)2)20-12-21(28(27-20)18-8-6-5-7-9-18)24-22(29)13-30-23-26-25-17(4)31-23/h5-12H,13H2,1-4H3,(H,24,29)
InChIKeyIKASRKNPWXWIAR-UHFFFAOYSA-N
MW449.61 g/mol
LogP5.36
Rot. Bonds6

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

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide (PubChem CID 2488773) has the molecular formula C23H23N5OS2 and a molecular weight of 449.61 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide
PubChem CID2488773
Molecular FormulaC23H23N5OS2
Molecular Weight449.61 g/mol
Exact Mass449.13
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide
SMILESCc1nnc(SCC(=O)Nc2cc(-c3cc(C)c(C)cc3C)nn2-c2ccccc2)s1
InChIInChI=1S/C23H23N5OS2/c1-14-10-16(3)19(11-15(14)2)20-12-21(28(27-20)18-8-6-5-7-9-18)24-22(29)13-30-23-26-25-17(4)31-23/h5-12H,13H2,1-4H3,(H,24,29)
InChIKeyIKASRKNPWXWIAR-UHFFFAOYSA-N
XLogP5.36
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.61
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-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-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide (CID 2488773) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide is Cc1nnc(SCC(=O)Nc2cc(-c3cc(C)c(C)cc3C)nn2-c2ccccc2)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide?
The InChIKey is IKASRKNPWXWIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5OS2/c1-14-10-16(3)19(11-15(14)2)20-12-21(28(27-20)18-8-6-5-7-9-18)24-22(29)13-30-23-26-25-17(4)31-23/h5-12H,13H2,1-4H3,(H,24,29).
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide has a molecular weight of 449.61 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide is sourced from PubChem (CID 2488773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).