1-[1-(2-amino-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-5,5-difluoro-1,3-diazinan-2-one

C14H19F4N5OS — CID 172594745

IUPAC1-[1-(2-amino-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-5,5-difluoro-1,3-diazinan-2-one
SMILESNc1ncc(C(CN2CCC(F)(F)CC2)N2CC(F)(F)CNC2=O)s1
InChIInChI=1S/C14H19F4N5OS/c15-13(16)1-3-22(4-2-13)6-9(10-5-20-11(19)25-10)23-8-14(17,18)7-21-12(23)24/h5,9H,1-4,6-8H2,(H2,19,20)(H,21,24)
InChIKeyMEZVMTKHWMWBIX-UHFFFAOYSA-N
MW381.40 g/mol
LogP2.16
Rot. Bonds4

About 1-[1-(2-amino-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-5,5-difluoro-1,3-diazinan-2-one

1-[1-(2-amino-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-5,5-difluoro-1,3-diazinan-2-one (PubChem CID 172594745) has the molecular formula C14H19F4N5OS and a molecular weight of 381.40 g/mol. Its IUPAC name is 1-[1-(2-amino-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-5,5-difluoro-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[1-(2-amino-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-5,5-difluoro-1,3-diazinan-2-one
PubChem CID172594745
Molecular FormulaC14H19F4N5OS
Molecular Weight381.40 g/mol
Exact Mass381.12
IUPAC Name1-[1-(2-amino-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-5,5-difluoro-1,3-diazinan-2-one
SMILESNc1ncc(C(CN2CCC(F)(F)CC2)N2CC(F)(F)CNC2=O)s1
InChIInChI=1S/C14H19F4N5OS/c15-13(16)1-3-22(4-2-13)6-9(10-5-20-11(19)25-10)23-8-14(17,18)7-21-12(23)24/h5,9H,1-4,6-8H2,(H2,19,20)(H,21,24)
InChIKeyMEZVMTKHWMWBIX-UHFFFAOYSA-N
XLogP2.16
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-amino-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-5,5-difluoro-1,3-diazinan-2-one?
The IUPAC name of 1-[1-(2-amino-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-5,5-difluoro-1,3-diazinan-2-one (CID 172594745) is 1-[1-(2-amino-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-5,5-difluoro-1,3-diazinan-2-one.
What is the SMILES notation for 1-[1-(2-amino-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-5,5-difluoro-1,3-diazinan-2-one?
The canonical SMILES for 1-[1-(2-amino-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-5,5-difluoro-1,3-diazinan-2-one is Nc1ncc(C(CN2CCC(F)(F)CC2)N2CC(F)(F)CNC2=O)s1.
What is the InChIKey of 1-[1-(2-amino-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-5,5-difluoro-1,3-diazinan-2-one?
The InChIKey is MEZVMTKHWMWBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4N5OS/c15-13(16)1-3-22(4-2-13)6-9(10-5-20-11(19)25-10)23-8-14(17,18)7-21-12(23)24/h5,9H,1-4,6-8H2,(H2,19,20)(H,21,24).
What are the key properties of 1-[1-(2-amino-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-5,5-difluoro-1,3-diazinan-2-one?
1-[1-(2-amino-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-5,5-difluoro-1,3-diazinan-2-one has a molecular weight of 381.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-amino-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]-5,5-difluoro-1,3-diazinan-2-one is sourced from PubChem (CID 172594745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).