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

C24H25FN4O2S — CID 90184660

IUPAC2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cc2csc(-c3cnn(C(C)(C)C)c3-c3ccc(F)cc3)n2)o1
InChIInChI=1S/C24H25FN4O2S/c1-15-5-10-19(31-15)12-26-21(30)11-18-14-32-23(28-18)20-13-27-29(24(2,3)4)22(20)16-6-8-17(25)9-7-16/h5-10,13-14H,11-12H2,1-4H3,(H,26,30)
InChIKeyPYINAJYCEXAQGC-UHFFFAOYSA-N
MW452.56 g/mol
LogP5.33
Rot. Bonds6

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

2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 90184660) has the molecular formula C24H25FN4O2S and a molecular weight of 452.56 g/mol. Its IUPAC name is 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID90184660
Molecular FormulaC24H25FN4O2S
Molecular Weight452.56 g/mol
Exact Mass452.17
IUPAC Name2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cc2csc(-c3cnn(C(C)(C)C)c3-c3ccc(F)cc3)n2)o1
InChIInChI=1S/C24H25FN4O2S/c1-15-5-10-19(31-15)12-26-21(30)11-18-14-32-23(28-18)20-13-27-29(24(2,3)4)22(20)16-6-8-17(25)9-7-16/h5-10,13-14H,11-12H2,1-4H3,(H,26,30)
InChIKeyPYINAJYCEXAQGC-UHFFFAOYSA-N
XLogP5.33
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]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-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 90184660) is 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(CNC(=O)Cc2csc(-c3cnn(C(C)(C)C)c3-c3ccc(F)cc3)n2)o1.
What is the InChIKey of 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is PYINAJYCEXAQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2S/c1-15-5-10-19(31-15)12-26-21(30)11-18-14-32-23(28-18)20-13-27-29(24(2,3)4)22(20)16-6-8-17(25)9-7-16/h5-10,13-14H,11-12H2,1-4H3,(H,26,30).
What are the key properties of 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 452.56 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 90184660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).