2,2-difluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone

C11H15F2N3OS — CID 103515120

IUPAC2,2-difluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCc1nc(CN2CCN(C(=O)C(F)F)CC2)cs1
InChIInChI=1S/C11H15F2N3OS/c1-8-14-9(7-18-8)6-15-2-4-16(5-3-15)11(17)10(12)13/h7,10H,2-6H2,1H3
InChIKeySNJAXQYZEPXZKY-UHFFFAOYSA-N
MW275.32 g/mol
LogP1.36
Rot. Bonds3

About 2,2-difluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone

2,2-difluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 103515120) has the molecular formula C11H15F2N3OS and a molecular weight of 275.32 g/mol. Its IUPAC name is 2,2-difluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
PubChem CID103515120
Molecular FormulaC11H15F2N3OS
Molecular Weight275.32 g/mol
Exact Mass275.09
IUPAC Name2,2-difluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCc1nc(CN2CCN(C(=O)C(F)F)CC2)cs1
InChIInChI=1S/C11H15F2N3OS/c1-8-14-9(7-18-8)6-15-2-4-16(5-3-15)11(17)10(12)13/h7,10H,2-6H2,1H3
InChIKeySNJAXQYZEPXZKY-UHFFFAOYSA-N
XLogP1.36
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2,2-difluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone (CID 103515120) is 2,2-difluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2,2-difluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2,2-difluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone is Cc1nc(CN2CCN(C(=O)C(F)F)CC2)cs1.
What is the InChIKey of 2,2-difluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is SNJAXQYZEPXZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3OS/c1-8-14-9(7-18-8)6-15-2-4-16(5-3-15)11(17)10(12)13/h7,10H,2-6H2,1H3.
What are the key properties of 2,2-difluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone?
2,2-difluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 275.32 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 103515120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).