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

C21H18ClN5S — CID 52947439

IUPAC5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(-c2cc(-c3ccccc3Cl)nc(-c3ccccn3)n2)s1
InChIInChI=1S/C21H18ClN5S/c1-2-10-24-21-25-13-19(28-21)18-12-17(14-7-3-4-8-15(14)22)26-20(27-18)16-9-5-6-11-23-16/h3-9,11-13H,2,10H2,1H3,(H,24,25)
InChIKeyOLCDRAPKIGNBKF-UHFFFAOYSA-N
MW407.93 g/mol
LogP5.80
Rot. Bonds6

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

5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 52947439) has the molecular formula C21H18ClN5S and a molecular weight of 407.93 g/mol. Its IUPAC name is 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine
PubChem CID52947439
Molecular FormulaC21H18ClN5S
Molecular Weight407.93 g/mol
Exact Mass407.10
IUPAC Name5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(-c2cc(-c3ccccc3Cl)nc(-c3ccccn3)n2)s1
InChIInChI=1S/C21H18ClN5S/c1-2-10-24-21-25-13-19(28-21)18-12-17(14-7-3-4-8-15(14)22)26-20(27-18)16-9-5-6-11-23-16/h3-9,11-13H,2,10H2,1H3,(H,24,25)
InChIKeyOLCDRAPKIGNBKF-UHFFFAOYSA-N
XLogP5.80
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.93
LogP ≤ 55.80
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-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine (CID 52947439) is 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(-c2cc(-c3ccccc3Cl)nc(-c3ccccn3)n2)s1.
What is the InChIKey of 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is OLCDRAPKIGNBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5S/c1-2-10-24-21-25-13-19(28-21)18-12-17(14-7-3-4-8-15(14)22)26-20(27-18)16-9-5-6-11-23-16/h3-9,11-13H,2,10H2,1H3,(H,24,25).
What are the key properties of 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?
5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 407.93 g/mol, XLogP of 5.80, 6 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-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 52947439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).