N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-3-pyridinyl]-2-(3-fluorophenyl)acetamide

C22H17FN4O2S — CID 134203780

IUPACN-[5-(2-acetamido-1,3-benzothiazol-6-yl)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cncc(NC(=O)Cc4cccc(F)c4)c3)cc2s1
InChIInChI=1S/C22H17FN4O2S/c1-13(28)25-22-27-19-6-5-15(10-20(19)30-22)16-9-18(12-24-11-16)26-21(29)8-14-3-2-4-17(23)7-14/h2-7,9-12H,8H2,1H3,(H,26,29)(H,25,27,28)
InChIKeyDYILAFANVZMFDB-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.64
Rot. Bonds5

About N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-3-pyridinyl]-2-(3-fluorophenyl)acetamide

N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-3-pyridinyl]-2-(3-fluorophenyl)acetamide (PubChem CID 134203780) has the molecular formula C22H17FN4O2S and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-3-pyridinyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[5-(2-acetamido-1,3-benzothiazol-6-yl)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
PubChem CID134203780
Molecular FormulaC22H17FN4O2S
Molecular Weight420.47 g/mol
Exact Mass420.11
IUPAC NameN-[5-(2-acetamido-1,3-benzothiazol-6-yl)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cncc(NC(=O)Cc4cccc(F)c4)c3)cc2s1
InChIInChI=1S/C22H17FN4O2S/c1-13(28)25-22-27-19-6-5-15(10-20(19)30-22)16-9-18(12-24-11-16)26-21(29)8-14-3-2-4-17(23)7-14/h2-7,9-12H,8H2,1H3,(H,26,29)(H,25,27,28)
InChIKeyDYILAFANVZMFDB-UHFFFAOYSA-N
XLogP4.64
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-3-pyridinyl]-2-(3-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-[5-[(4-methoxyphenyl)sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 51354315
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 954022
2-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,4-dimethylphenyl)acetamide
CID 46289672
N-[6-[6-methyl-5-[(2-phenylacetyl)amino]-3-pyridinyl]-1,3-benzothiazol-2-yl]propanamide
CID 134203947
N-[6-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-yl]acetamide
CID 132578588
2-(2-acetamido-1,3-benzothiazol-6-yl)-N-benzylacetamide
CID 46289632
N-[6-(6-chloropyrazin-2-yl)-1,3-benzothiazol-2-yl]acetamide
CID 51354316
3-oxo-N-[6-[(2-phenylacetyl)amino]-1,3-benzothiazol-2-yl]butanamide
CID 57257022
N-[6-[3-(3-fluoroanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl]-2-methylpropanamide
CID 46289542
N-[6-(6-ethyl-5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]acetamide
CID 118721835
[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-chloro-3-pyridinyl]-carboxycarbamic acid
CID 87557292
2-(3-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 51185209

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-3-pyridinyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-3-pyridinyl]-2-(3-fluorophenyl)acetamide (CID 134203780) is N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-3-pyridinyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-3-pyridinyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-3-pyridinyl]-2-(3-fluorophenyl)acetamide is CC(=O)Nc1nc2ccc(-c3cncc(NC(=O)Cc4cccc(F)c4)c3)cc2s1.
What is the InChIKey of N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-3-pyridinyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is DYILAFANVZMFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2S/c1-13(28)25-22-27-19-6-5-15(10-20(19)30-22)16-9-18(12-24-11-16)26-21(29)8-14-3-2-4-17(23)7-14/h2-7,9-12H,8H2,1H3,(H,26,29)(H,25,27,28).
What are the key properties of N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-3-pyridinyl]-2-(3-fluorophenyl)acetamide?
N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-3-pyridinyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 420.47 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-3-pyridinyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 134203780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).