2-(2-piperidin-1-yl-5-thiophen-3-ylpyrimidin-4-yl)-1,3-thiazole

C16H16N4S2 — CID 44522323

IUPAC2-(2-piperidin-1-yl-5-thiophen-3-ylpyrimidin-4-yl)-1,3-thiazole
SMILESc1csc(-c2nc(N3CCCCC3)ncc2-c2ccsc2)n1
InChIInChI=1S/C16H16N4S2/c1-2-6-20(7-3-1)16-18-10-13(12-4-8-21-11-12)14(19-16)15-17-5-9-22-15/h4-5,8-11H,1-3,6-7H2
InChIKeyPVRRSDKGEZEPKF-UHFFFAOYSA-N
MW328.47 g/mol
LogP4.32
Rot. Bonds3

About 2-(2-piperidin-1-yl-5-thiophen-3-ylpyrimidin-4-yl)-1,3-thiazole

2-(2-piperidin-1-yl-5-thiophen-3-ylpyrimidin-4-yl)-1,3-thiazole (PubChem CID 44522323) has the molecular formula C16H16N4S2 and a molecular weight of 328.47 g/mol. Its IUPAC name is 2-(2-piperidin-1-yl-5-thiophen-3-ylpyrimidin-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-piperidin-1-yl-5-thiophen-3-ylpyrimidin-4-yl)-1,3-thiazole
PubChem CID44522323
Molecular FormulaC16H16N4S2
Molecular Weight328.47 g/mol
Exact Mass328.08
IUPAC Name2-(2-piperidin-1-yl-5-thiophen-3-ylpyrimidin-4-yl)-1,3-thiazole
SMILESc1csc(-c2nc(N3CCCCC3)ncc2-c2ccsc2)n1
InChIInChI=1S/C16H16N4S2/c1-2-6-20(7-3-1)16-18-10-13(12-4-8-21-11-12)14(19-16)15-17-5-9-22-15/h4-5,8-11H,1-3,6-7H2
InChIKeyPVRRSDKGEZEPKF-UHFFFAOYSA-N
XLogP4.32
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.47
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-1-yl-5-thiophen-3-ylpyrimidin-4-yl)-1,3-thiazole?
The IUPAC name of 2-(2-piperidin-1-yl-5-thiophen-3-ylpyrimidin-4-yl)-1,3-thiazole (CID 44522323) is 2-(2-piperidin-1-yl-5-thiophen-3-ylpyrimidin-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2-piperidin-1-yl-5-thiophen-3-ylpyrimidin-4-yl)-1,3-thiazole?
The canonical SMILES for 2-(2-piperidin-1-yl-5-thiophen-3-ylpyrimidin-4-yl)-1,3-thiazole is c1csc(-c2nc(N3CCCCC3)ncc2-c2ccsc2)n1.
What is the InChIKey of 2-(2-piperidin-1-yl-5-thiophen-3-ylpyrimidin-4-yl)-1,3-thiazole?
The InChIKey is PVRRSDKGEZEPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S2/c1-2-6-20(7-3-1)16-18-10-13(12-4-8-21-11-12)14(19-16)15-17-5-9-22-15/h4-5,8-11H,1-3,6-7H2.
What are the key properties of 2-(2-piperidin-1-yl-5-thiophen-3-ylpyrimidin-4-yl)-1,3-thiazole?
2-(2-piperidin-1-yl-5-thiophen-3-ylpyrimidin-4-yl)-1,3-thiazole has a molecular weight of 328.47 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-1-yl-5-thiophen-3-ylpyrimidin-4-yl)-1,3-thiazole is sourced from PubChem (CID 44522323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).