5-phenyl-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine

C18H19N5OS — CID 10428163

IUPAC5-phenyl-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine
SMILESc1ccc(-c2cnc(Nc3cc(OC4CCNCC4)ncn3)s2)cc1
InChIInChI=1S/C18H19N5OS/c1-2-4-13(5-3-1)15-11-20-18(25-15)23-16-10-17(22-12-21-16)24-14-6-8-19-9-7-14/h1-5,10-12,14,19H,6-9H2,(H,20,21,22,23)
InChIKeyNIPLEYWULBKSHR-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.47
Rot. Bonds5

About 5-phenyl-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine

5-phenyl-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine (PubChem CID 10428163) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 5-phenyl-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-phenyl-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine
PubChem CID10428163
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name5-phenyl-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine
SMILESc1ccc(-c2cnc(Nc3cc(OC4CCNCC4)ncn3)s2)cc1
InChIInChI=1S/C18H19N5OS/c1-2-4-13(5-3-1)15-11-20-18(25-15)23-16-10-17(22-12-21-16)24-14-6-8-19-9-7-14/h1-5,10-12,14,19H,6-9H2,(H,20,21,22,23)
InChIKeyNIPLEYWULBKSHR-UHFFFAOYSA-N
XLogP3.47
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-phenyl-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine (CID 10428163) is 5-phenyl-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-phenyl-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-phenyl-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine is c1ccc(-c2cnc(Nc3cc(OC4CCNCC4)ncn3)s2)cc1.
What is the InChIKey of 5-phenyl-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is NIPLEYWULBKSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-2-4-13(5-3-1)15-11-20-18(25-15)23-16-10-17(22-12-21-16)24-14-6-8-19-9-7-14/h1-5,10-12,14,19H,6-9H2,(H,20,21,22,23).
What are the key properties of 5-phenyl-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine?
5-phenyl-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 353.45 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 10428163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).