2-(4-fluoropiperidin-4-yl)-5-pyrimidin-2-yl-1,3-thiazole

C12H13FN4S — CID 58142803

IUPAC2-(4-fluoropiperidin-4-yl)-5-pyrimidin-2-yl-1,3-thiazole
SMILESFC1(c2ncc(-c3ncccn3)s2)CCNCC1
InChIInChI=1S/C12H13FN4S/c13-12(2-6-14-7-3-12)11-17-8-9(18-11)10-15-4-1-5-16-10/h1,4-5,8,14H,2-3,6-7H2
InChIKeyYOHRREITWCRGJM-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.15
Rot. Bonds2

About 2-(4-fluoropiperidin-4-yl)-5-pyrimidin-2-yl-1,3-thiazole

2-(4-fluoropiperidin-4-yl)-5-pyrimidin-2-yl-1,3-thiazole (PubChem CID 58142803) has the molecular formula C12H13FN4S and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(4-fluoropiperidin-4-yl)-5-pyrimidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-fluoropiperidin-4-yl)-5-pyrimidin-2-yl-1,3-thiazole
PubChem CID58142803
Molecular FormulaC12H13FN4S
Molecular Weight264.33 g/mol
Exact Mass264.08
IUPAC Name2-(4-fluoropiperidin-4-yl)-5-pyrimidin-2-yl-1,3-thiazole
SMILESFC1(c2ncc(-c3ncccn3)s2)CCNCC1
InChIInChI=1S/C12H13FN4S/c13-12(2-6-14-7-3-12)11-17-8-9(18-11)10-15-4-1-5-16-10/h1,4-5,8,14H,2-3,6-7H2
InChIKeyYOHRREITWCRGJM-UHFFFAOYSA-N
XLogP2.15
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoropiperidin-4-yl)-5-pyrimidin-2-yl-1,3-thiazole?
The IUPAC name of 2-(4-fluoropiperidin-4-yl)-5-pyrimidin-2-yl-1,3-thiazole (CID 58142803) is 2-(4-fluoropiperidin-4-yl)-5-pyrimidin-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(4-fluoropiperidin-4-yl)-5-pyrimidin-2-yl-1,3-thiazole?
The canonical SMILES for 2-(4-fluoropiperidin-4-yl)-5-pyrimidin-2-yl-1,3-thiazole is FC1(c2ncc(-c3ncccn3)s2)CCNCC1.
What is the InChIKey of 2-(4-fluoropiperidin-4-yl)-5-pyrimidin-2-yl-1,3-thiazole?
The InChIKey is YOHRREITWCRGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4S/c13-12(2-6-14-7-3-12)11-17-8-9(18-11)10-15-4-1-5-16-10/h1,4-5,8,14H,2-3,6-7H2.
What are the key properties of 2-(4-fluoropiperidin-4-yl)-5-pyrimidin-2-yl-1,3-thiazole?
2-(4-fluoropiperidin-4-yl)-5-pyrimidin-2-yl-1,3-thiazole has a molecular weight of 264.33 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoropiperidin-4-yl)-5-pyrimidin-2-yl-1,3-thiazole is sourced from PubChem (CID 58142803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).