N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C17H17FN4OS — CID 50960625

IUPACN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)N(C)Cc2cn[nH]c2-c2ccc(F)cc2)cs1
InChIInChI=1S/C17H17FN4OS/c1-11-20-15(10-24-11)7-16(23)22(2)9-13-8-19-21-17(13)12-3-5-14(18)6-4-12/h3-6,8,10H,7,9H2,1-2H3,(H,19,21)
InChIKeyRXUYLAHUKDXRAM-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.18
Rot. Bonds5

About N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 50960625) has the molecular formula C17H17FN4OS and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID50960625
Molecular FormulaC17H17FN4OS
Molecular Weight344.42 g/mol
Exact Mass344.11
IUPAC NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)N(C)Cc2cn[nH]c2-c2ccc(F)cc2)cs1
InChIInChI=1S/C17H17FN4OS/c1-11-20-15(10-24-11)7-16(23)22(2)9-13-8-19-21-17(13)12-3-5-14(18)6-4-12/h3-6,8,10H,7,9H2,1-2H3,(H,19,21)
InChIKeyRXUYLAHUKDXRAM-UHFFFAOYSA-N
XLogP3.18
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-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-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 50960625) is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)N(C)Cc2cn[nH]c2-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is RXUYLAHUKDXRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4OS/c1-11-20-15(10-24-11)7-16(23)22(2)9-13-8-19-21-17(13)12-3-5-14(18)6-4-12/h3-6,8,10H,7,9H2,1-2H3,(H,19,21).
What are the key properties of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 344.42 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 50960625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).