N-[6-[2-[(3-fluorophenyl)methoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide

C20H15FN4O2S — CID 25182145

IUPACN-[6-[2-[(3-fluorophenyl)methoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3ccnc(OCc4cccc(F)c4)n3)cc2s1
InChIInChI=1S/C20H15FN4O2S/c1-12(26)23-20-25-17-6-5-14(10-18(17)28-20)16-7-8-22-19(24-16)27-11-13-3-2-4-15(21)9-13/h2-10H,11H2,1H3,(H,23,25,26)
InChIKeyKPSJQWFSOCYFSQ-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.43
Rot. Bonds5

About N-[6-[2-[(3-fluorophenyl)methoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide

N-[6-[2-[(3-fluorophenyl)methoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide (PubChem CID 25182145) has the molecular formula C20H15FN4O2S and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[6-[2-[(3-fluorophenyl)methoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[2-[(3-fluorophenyl)methoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
PubChem CID25182145
Molecular FormulaC20H15FN4O2S
Molecular Weight394.43 g/mol
Exact Mass394.09
IUPAC NameN-[6-[2-[(3-fluorophenyl)methoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3ccnc(OCc4cccc(F)c4)n3)cc2s1
InChIInChI=1S/C20H15FN4O2S/c1-12(26)23-20-25-17-6-5-14(10-18(17)28-20)16-7-8-22-19(24-16)27-11-13-3-2-4-15(21)9-13/h2-10H,11H2,1H3,(H,23,25,26)
InChIKeyKPSJQWFSOCYFSQ-UHFFFAOYSA-N
XLogP4.43
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-[2-[(3-fluorophenyl)methoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-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

Related Compounds

N-{6-[2-(Methylsulfanyl)pyrimidin-4-Yl]-1,3-Benzothiazol-2-Yl}acetamide
CID 25183031
N-(6-(2-(3-(pyridin-3-yl)propoxy)pyrimidin-4-yl)benzo[d]thiazol-2-yl)acetamide
CID 25182020
N-(6-(2-(Benzyloxy)pyrimidin-4-yl)benzo[d]thiazol-2-yl)acetamide
CID 25182022
N-(6-(2-(3-Phenylpropoxy)pyrimidin-4-yl)benzo[d]thiazol-2-yl)acetamide
CID 25182023
N-(6-(2-(3-Methoxypropoxy)pyrimidin-4-yl)benzo[d]thiazol-2-yl)acetamide
CID 25182024
N-(6-(2-(3-Morpholinopropoxy)pyrimidin-4-yl)benzo[d]thiazol-2-yl)acetamide
CID 25182142
N-(6-(2-benzylpyrimidin-4-yl)benzo[d]thiazol-2-yl)acetamide
CID 25182146
N-(6-(2-(4-methoxyphenylthio)pyrimidin-4-yl)benzo[d]thiazol-2-yl)acetamide
CID 25182281
N-(6-(2-(Pyridin-4-ylmethoxy)pyrimidin-4-yl)benzo[d]thiazol-2-yl)acetamide
CID 25182282
N-(6-(2-(Benzylthio)pyrimidin-4-yl)benzo[d]thiazol-2-yl)acetamide
CID 25182285
N-(6-(2-(Phenylthio)pyrimidin-4-yl)benzo[d]thiazol-2-yl)acetamide
CID 25182286
N-(6-(2-(2-Fluorophenylthio)pyrimidin-4-yl)benzo[d]thiazol-2-yl)acetamide
CID 25182424

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[(3-fluorophenyl)methoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-[2-[(3-fluorophenyl)methoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide (CID 25182145) is N-[6-[2-[(3-fluorophenyl)methoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[2-[(3-fluorophenyl)methoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-[2-[(3-fluorophenyl)methoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(-c3ccnc(OCc4cccc(F)c4)n3)cc2s1.
What is the InChIKey of N-[6-[2-[(3-fluorophenyl)methoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is KPSJQWFSOCYFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2S/c1-12(26)23-20-25-17-6-5-14(10-18(17)28-20)16-7-8-22-19(24-16)27-11-13-3-2-4-15(21)9-13/h2-10H,11H2,1H3,(H,23,25,26).
What are the key properties of N-[6-[2-[(3-fluorophenyl)methoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide?
N-[6-[2-[(3-fluorophenyl)methoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 394.43 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[(3-fluorophenyl)methoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 25182145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).