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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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).