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

C22H18ClN5S — CID 52943906

IUPAC5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-cyclobutyl-1,3-thiazol-2-amine
SMILESClc1ccccc1-c1cc(-c2cnc(NC3CCC3)s2)nc(-c2ccccn2)n1
InChIInChI=1S/C22H18ClN5S/c23-16-9-2-1-8-15(16)18-12-19(28-21(27-18)17-10-3-4-11-24-17)20-13-25-22(29-20)26-14-6-5-7-14/h1-4,8-14H,5-7H2,(H,25,26)
InChIKeyMACIJGKZPVBFCA-UHFFFAOYSA-N
MW419.94 g/mol
LogP5.95
Rot. Bonds5

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

5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-cyclobutyl-1,3-thiazol-2-amine (PubChem CID 52943906) has the molecular formula C22H18ClN5S and a molecular weight of 419.94 g/mol. Its IUPAC name is 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-cyclobutyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-cyclobutyl-1,3-thiazol-2-amine
PubChem CID52943906
Molecular FormulaC22H18ClN5S
Molecular Weight419.94 g/mol
Exact Mass419.10
IUPAC Name5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-cyclobutyl-1,3-thiazol-2-amine
SMILESClc1ccccc1-c1cc(-c2cnc(NC3CCC3)s2)nc(-c2ccccn2)n1
InChIInChI=1S/C22H18ClN5S/c23-16-9-2-1-8-15(16)18-12-19(28-21(27-18)17-10-3-4-11-24-17)20-13-25-22(29-20)26-14-6-5-7-14/h1-4,8-14H,5-7H2,(H,25,26)
InChIKeyMACIJGKZPVBFCA-UHFFFAOYSA-N
XLogP5.95
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.94
LogP ≤ 55.95
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-cyclobutyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-cyclobutyl-1,3-thiazol-2-amine (CID 52943906) is 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-cyclobutyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-cyclobutyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-cyclobutyl-1,3-thiazol-2-amine is Clc1ccccc1-c1cc(-c2cnc(NC3CCC3)s2)nc(-c2ccccn2)n1.
What is the InChIKey of 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-cyclobutyl-1,3-thiazol-2-amine?
The InChIKey is MACIJGKZPVBFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5S/c23-16-9-2-1-8-15(16)18-12-19(28-21(27-18)17-10-3-4-11-24-17)20-13-25-22(29-20)26-14-6-5-7-14/h1-4,8-14H,5-7H2,(H,25,26).
What are the key properties of 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-cyclobutyl-1,3-thiazol-2-amine?
5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-cyclobutyl-1,3-thiazol-2-amine has a molecular weight of 419.94 g/mol, XLogP of 5.95, 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-cyclobutyl-1,3-thiazol-2-amine is sourced from PubChem (CID 52943906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).