N-[6-(2-phenoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide

C19H14N4O2S — CID 25182565

IUPACN-[6-(2-phenoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3ccnc(Oc4ccccc4)n3)cc2s1
InChIInChI=1S/C19H14N4O2S/c1-12(24)21-19-23-16-8-7-13(11-17(16)26-19)15-9-10-20-18(22-15)25-14-5-3-2-4-6-14/h2-11H,1H3,(H,21,23,24)
InChIKeyZVYXSMKMXOPLQI-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.50
Rot. Bonds4

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

N-[6-(2-phenoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 25182565) has the molecular formula C19H14N4O2S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[6-(2-phenoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(2-phenoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide
PubChem CID25182565
Molecular FormulaC19H14N4O2S
Molecular Weight362.41 g/mol
Exact Mass362.08
IUPAC NameN-[6-(2-phenoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3ccnc(Oc4ccccc4)n3)cc2s1
InChIInChI=1S/C19H14N4O2S/c1-12(24)21-19-23-16-8-7-13(11-17(16)26-19)15-9-10-20-18(22-15)25-14-5-3-2-4-6-14/h2-11H,1H3,(H,21,23,24)
InChIKeyZVYXSMKMXOPLQI-UHFFFAOYSA-N
XLogP4.50
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Amg-517
CID 16007367
Amg-628
CID 11329359
N-[6-(5,6-Dimethoxypyridin-3-Yl)-1,3-Benzothiazol-2-Yl]acetamide
CID 73659200
N-{4-[(6-{4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl}pyrimidin-4-yl)oxy]-1,3-benzothiazol-2-yl}acetamide
CID 11202687
Acetamide, N-(4-((6-(4-((1S)-1-(4-fluorophenyl)ethyl)-1-piperazinyl)-4-pyrimidinyl)oxy)-2-benzothiazolyl)-
CID 11317868
Acetamide, N-(4-((6-(4-((1R)-1-(4-fluorophenyl)ethyl)-1-piperazinyl)-4-pyrimidinyl)oxy)-2-benzothiazolyl)-
CID 11352366
N-{4-[(6-{4-[(1S)-1-(2-fluorophenyl)ethyl]piperazin-1-yl}pyrimidin-4-yl)oxy]-1,3-benzothiazol-2-yl}acetamide
CID 11477418
n-(4-{[6-(4-Benzylpiperazin-1-yl)pyrimidin-4-yl]oxy}-1,3-benzothiazol-2-yl)acetamide
CID 11754004
N-{4-[6-(4-Trifluoromethyl-cyclohex-1-enyl)-pyrimidin-4-yloxy]-benzothiazol-2-yl}-acetamide
CID 16748464
N-[4-({6-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-yl}oxy)-1,3-benzothiazol-2-yl]acetamide
CID 16748465
N-{4-[(6-{4-[(1S)-1-phenylethyl]piperazin-1-yl}pyrimidin-4-yl)oxy]-1,3-benzothiazol-2-yl}acetamide
CID 16748582
1-[6-(5-Methoxypyridin-3-Yl)-1,3-Benzothiazol-2-Yl]-3-[2-(1-Propyl-1h-Imidazol-4-Yl)ethyl]urea
CID 73659199

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-phenoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-(2-phenoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide (CID 25182565) is N-[6-(2-phenoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-(2-phenoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-(2-phenoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(-c3ccnc(Oc4ccccc4)n3)cc2s1.
What is the InChIKey of N-[6-(2-phenoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is ZVYXSMKMXOPLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S/c1-12(24)21-19-23-16-8-7-13(11-17(16)26-19)15-9-10-20-18(22-15)25-14-5-3-2-4-6-14/h2-11H,1H3,(H,21,23,24).
What are the key properties of N-[6-(2-phenoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide?
N-[6-(2-phenoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 362.41 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-phenoxypyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 25182565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).