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

C15H22N4OS — CID 50974363

IUPACN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCCc1c(C)nn(CCNC(=O)Cc2csc(C)n2)c1C
InChIInChI=1S/C15H22N4OS/c1-5-14-10(2)18-19(11(14)3)7-6-16-15(20)8-13-9-21-12(4)17-13/h9H,5-8H2,1-4H3,(H,16,20)
InChIKeyUFHQNJQPFXHSSM-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.19
Rot. Bonds6

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

N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 50974363) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID50974363
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC NameN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCCc1c(C)nn(CCNC(=O)Cc2csc(C)n2)c1C
InChIInChI=1S/C15H22N4OS/c1-5-14-10(2)18-19(11(14)3)7-6-16-15(20)8-13-9-21-12(4)17-13/h9H,5-8H2,1-4H3,(H,16,20)
InChIKeyUFHQNJQPFXHSSM-UHFFFAOYSA-N
XLogP2.19
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-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 N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 50974363) is N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is CCc1c(C)nn(CCNC(=O)Cc2csc(C)n2)c1C.
What is the InChIKey of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is UFHQNJQPFXHSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-5-14-10(2)18-19(11(14)3)7-6-16-15(20)8-13-9-21-12(4)17-13/h9H,5-8H2,1-4H3,(H,16,20).
What are the key properties of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 306.44 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 50974363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).