2-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide

C21H19FN4O2S — CID 30461065

IUPAC2-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide
SMILESCOc1ccc2nc(N(CCn3cccn3)C(=O)Cc3ccc(F)cc3)sc2c1
InChIInChI=1S/C21H19FN4O2S/c1-28-17-7-8-18-19(14-17)29-21(24-18)26(12-11-25-10-2-9-23-25)20(27)13-15-3-5-16(22)6-4-15/h2-10,14H,11-13H2,1H3
InChIKeyAGJXPNOEACINBK-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.92
Rot. Bonds7

About 2-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide

2-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide (PubChem CID 30461065) has the molecular formula C21H19FN4O2S and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide
PubChem CID30461065
Molecular FormulaC21H19FN4O2S
Molecular Weight410.47 g/mol
Exact Mass410.12
IUPAC Name2-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide
SMILESCOc1ccc2nc(N(CCn3cccn3)C(=O)Cc3ccc(F)cc3)sc2c1
InChIInChI=1S/C21H19FN4O2S/c1-28-17-7-8-18-19(14-17)29-21(24-18)26(12-11-25-10-2-9-23-25)20(27)13-15-3-5-16(22)6-4-15/h2-10,14H,11-13H2,1H3
InChIKeyAGJXPNOEACINBK-UHFFFAOYSA-N
XLogP3.92
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)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-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide (CID 30461065) is 2-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide is COc1ccc2nc(N(CCn3cccn3)C(=O)Cc3ccc(F)cc3)sc2c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide?
The InChIKey is AGJXPNOEACINBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2S/c1-28-17-7-8-18-19(14-17)29-21(24-18)26(12-11-25-10-2-9-23-25)20(27)13-15-3-5-16(22)6-4-15/h2-10,14H,11-13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide?
2-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide has a molecular weight of 410.47 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)acetamide is sourced from PubChem (CID 30461065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).