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

C20H16N4OS2 — CID 46975061

IUPACN-[2-methyl-5-(thiadiazol-4-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCc1ccc(-c2csnn2)cc1NC(=O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C20H16N4OS2/c1-13-7-8-15(18-12-27-24-23-18)9-17(13)22-19(25)10-16-11-26-20(21-16)14-5-3-2-4-6-14/h2-9,11-12H,10H2,1H3,(H,22,25)
InChIKeyJZEPFTYNIZQVQL-UHFFFAOYSA-N
MW392.51 g/mol
LogP4.82
Rot. Bonds5

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

N-[2-methyl-5-(thiadiazol-4-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 46975061) has the molecular formula C20H16N4OS2 and a molecular weight of 392.51 g/mol. Its IUPAC name is N-[2-methyl-5-(thiadiazol-4-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-methyl-5-(thiadiazol-4-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID46975061
Molecular FormulaC20H16N4OS2
Molecular Weight392.51 g/mol
Exact Mass392.08
IUPAC NameN-[2-methyl-5-(thiadiazol-4-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCc1ccc(-c2csnn2)cc1NC(=O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C20H16N4OS2/c1-13-7-8-15(18-12-27-24-23-18)9-17(13)22-19(25)10-16-11-26-20(21-16)14-5-3-2-4-6-14/h2-9,11-12H,10H2,1H3,(H,22,25)
InChIKeyJZEPFTYNIZQVQL-UHFFFAOYSA-N
XLogP4.82
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(thiadiazol-4-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-methyl-5-(thiadiazol-4-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 46975061) is N-[2-methyl-5-(thiadiazol-4-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-methyl-5-(thiadiazol-4-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-methyl-5-(thiadiazol-4-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is Cc1ccc(-c2csnn2)cc1NC(=O)Cc1csc(-c2ccccc2)n1.
What is the InChIKey of N-[2-methyl-5-(thiadiazol-4-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is JZEPFTYNIZQVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS2/c1-13-7-8-15(18-12-27-24-23-18)9-17(13)22-19(25)10-16-11-26-20(21-16)14-5-3-2-4-6-14/h2-9,11-12H,10H2,1H3,(H,22,25).
What are the key properties of N-[2-methyl-5-(thiadiazol-4-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-[2-methyl-5-(thiadiazol-4-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 392.51 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(thiadiazol-4-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 46975061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).