3,3,3-trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one

C12H16F3N3OS — CID 51079880

IUPAC3,3,3-trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
SMILESCc1nc(CN2CCN(C(=O)CC(F)(F)F)CC2)cs1
InChIInChI=1S/C12H16F3N3OS/c1-9-16-10(8-20-9)7-17-2-4-18(5-3-17)11(19)6-12(13,14)15/h8H,2-7H2,1H3
InChIKeyGUCTVDZEQPGMSI-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.05
Rot. Bonds3

About 3,3,3-trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one

3,3,3-trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 51079880) has the molecular formula C12H16F3N3OS and a molecular weight of 307.34 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
PubChem CID51079880
Molecular FormulaC12H16F3N3OS
Molecular Weight307.34 g/mol
Exact Mass307.10
IUPAC Name3,3,3-trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
SMILESCc1nc(CN2CCN(C(=O)CC(F)(F)F)CC2)cs1
InChIInChI=1S/C12H16F3N3OS/c1-9-16-10(8-20-9)7-17-2-4-18(5-3-17)11(19)6-12(13,14)15/h8H,2-7H2,1H3
InChIKeyGUCTVDZEQPGMSI-UHFFFAOYSA-N
XLogP2.05
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one (CID 51079880) is 3,3,3-trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one is Cc1nc(CN2CCN(C(=O)CC(F)(F)F)CC2)cs1.
What is the InChIKey of 3,3,3-trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one?
The InChIKey is GUCTVDZEQPGMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3OS/c1-9-16-10(8-20-9)7-17-2-4-18(5-3-17)11(19)6-12(13,14)15/h8H,2-7H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one?
3,3,3-trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 307.34 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 51079880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).