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

C18H12ClN5S — CID 52941436

IUPAC5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESNc1ncc(-c2cc(-c3ccccc3Cl)nc(-c3ccccn3)n2)s1
InChIInChI=1S/C18H12ClN5S/c19-12-6-2-1-5-11(12)14-9-15(16-10-22-18(20)25-16)24-17(23-14)13-7-3-4-8-21-13/h1-10H,(H2,20,22)
InChIKeyOVAQICUQLITTBB-UHFFFAOYSA-N
MW365.85 g/mol
LogP4.56
Rot. Bonds3

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

5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 52941436) has the molecular formula C18H12ClN5S and a molecular weight of 365.85 g/mol. Its IUPAC name is 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID52941436
Molecular FormulaC18H12ClN5S
Molecular Weight365.85 g/mol
Exact Mass365.05
IUPAC Name5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESNc1ncc(-c2cc(-c3ccccc3Cl)nc(-c3ccccn3)n2)s1
InChIInChI=1S/C18H12ClN5S/c19-12-6-2-1-5-11(12)14-9-15(16-10-22-18(20)25-16)24-17(23-14)13-7-3-4-8-21-13/h1-10H,(H2,20,22)
InChIKeyOVAQICUQLITTBB-UHFFFAOYSA-N
XLogP4.56
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.85
LogP ≤ 54.56
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]-1,3-thiazol-2-amine?
The IUPAC name of 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-1,3-thiazol-2-amine (CID 52941436) is 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-1,3-thiazol-2-amine is Nc1ncc(-c2cc(-c3ccccc3Cl)nc(-c3ccccn3)n2)s1.
What is the InChIKey of 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is OVAQICUQLITTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5S/c19-12-6-2-1-5-11(12)14-9-15(16-10-22-18(20)25-16)24-17(23-14)13-7-3-4-8-21-13/h1-10H,(H2,20,22).
What are the key properties of 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-1,3-thiazol-2-amine?
5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 365.85 g/mol, XLogP of 4.56, 3 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]-1,3-thiazol-2-amine is sourced from PubChem (CID 52941436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).