5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-ethyl-1,3-thiazol-2-amine

C20H16ClN5S — CID 52943899

IUPAC5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1ncc(-c2cc(-c3ccccc3Cl)nc(-c3ccccn3)n2)s1
InChIInChI=1S/C20H16ClN5S/c1-2-22-20-24-12-18(27-20)17-11-16(13-7-3-4-8-14(13)21)25-19(26-17)15-9-5-6-10-23-15/h3-12H,2H2,1H3,(H,22,24)
InChIKeyZSYTWFQJXZTIFU-UHFFFAOYSA-N
MW393.90 g/mol
LogP5.41
Rot. Bonds5

About 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-ethyl-1,3-thiazol-2-amine

5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-ethyl-1,3-thiazol-2-amine (PubChem CID 52943899) has the molecular formula C20H16ClN5S and a molecular weight of 393.90 g/mol. Its IUPAC name is 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-ethyl-1,3-thiazol-2-amine
PubChem CID52943899
Molecular FormulaC20H16ClN5S
Molecular Weight393.90 g/mol
Exact Mass393.08
IUPAC Name5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1ncc(-c2cc(-c3ccccc3Cl)nc(-c3ccccn3)n2)s1
InChIInChI=1S/C20H16ClN5S/c1-2-22-20-24-12-18(27-20)17-11-16(13-7-3-4-8-14(13)21)25-19(26-17)15-9-5-6-10-23-15/h3-12H,2H2,1H3,(H,22,24)
InChIKeyZSYTWFQJXZTIFU-UHFFFAOYSA-N
XLogP5.41
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.90
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-ethyl-1,3-thiazol-2-amine (CID 52943899) is 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-ethyl-1,3-thiazol-2-amine is CCNc1ncc(-c2cc(-c3ccccc3Cl)nc(-c3ccccn3)n2)s1.
What is the InChIKey of 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-ethyl-1,3-thiazol-2-amine?
The InChIKey is ZSYTWFQJXZTIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5S/c1-2-22-20-24-12-18(27-20)17-11-16(13-7-3-4-8-14(13)21)25-19(26-17)15-9-5-6-10-23-15/h3-12H,2H2,1H3,(H,22,24).
What are the key properties of 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-ethyl-1,3-thiazol-2-amine?
5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-ethyl-1,3-thiazol-2-amine has a molecular weight of 393.90 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 52943899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).