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

C17H17FN4OS — CID 71802075

IUPACN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-fluorobenzamide
SMILESCc1cc(C)n(-c2nc(CCNC(=O)c3ccccc3F)cs2)n1
InChIInChI=1S/C17H17FN4OS/c1-11-9-12(2)22(21-11)17-20-13(10-24-17)7-8-19-16(23)14-5-3-4-6-15(14)18/h3-6,9-10H,7-8H2,1-2H3,(H,19,23)
InChIKeySRWNCUNVJIMOIR-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.06
Rot. Bonds5

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

N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-fluorobenzamide (PubChem CID 71802075) has the molecular formula C17H17FN4OS and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-fluorobenzamide
PubChem CID71802075
Molecular FormulaC17H17FN4OS
Molecular Weight344.42 g/mol
Exact Mass344.11
IUPAC NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-fluorobenzamide
SMILESCc1cc(C)n(-c2nc(CCNC(=O)c3ccccc3F)cs2)n1
InChIInChI=1S/C17H17FN4OS/c1-11-9-12(2)22(21-11)17-20-13(10-24-17)7-8-19-16(23)14-5-3-4-6-15(14)18/h3-6,9-10H,7-8H2,1-2H3,(H,19,23)
InChIKeySRWNCUNVJIMOIR-UHFFFAOYSA-N
XLogP3.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-fluorobenzamide 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-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-fluorobenzamide (CID 71802075) is N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-fluorobenzamide is Cc1cc(C)n(-c2nc(CCNC(=O)c3ccccc3F)cs2)n1.
What is the InChIKey of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-fluorobenzamide?
The InChIKey is SRWNCUNVJIMOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4OS/c1-11-9-12(2)22(21-11)17-20-13(10-24-17)7-8-19-16(23)14-5-3-4-6-15(14)18/h3-6,9-10H,7-8H2,1-2H3,(H,19,23).
What are the key properties of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-fluorobenzamide?
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-fluorobenzamide has a molecular weight of 344.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-fluorobenzamide is sourced from PubChem (CID 71802075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).