5-(piperazin-1-ylmethyl)-4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole

C12H18F3N3S — CID 83959773

IUPAC5-(piperazin-1-ylmethyl)-4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)c1nc(C(F)(F)F)sc1CN1CCNCC1
InChIInChI=1S/C12H18F3N3S/c1-8(2)10-9(7-18-5-3-16-4-6-18)19-11(17-10)12(13,14)15/h8,16H,3-7H2,1-2H3
InChIKeyODGLZCMEJOJPFR-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.69
Rot. Bonds3

About 5-(piperazin-1-ylmethyl)-4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole

5-(piperazin-1-ylmethyl)-4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 83959773) has the molecular formula C12H18F3N3S and a molecular weight of 293.36 g/mol. Its IUPAC name is 5-(piperazin-1-ylmethyl)-4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(piperazin-1-ylmethyl)-4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole
PubChem CID83959773
Molecular FormulaC12H18F3N3S
Molecular Weight293.36 g/mol
Exact Mass293.12
IUPAC Name5-(piperazin-1-ylmethyl)-4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole
SMILESCC(C)c1nc(C(F)(F)F)sc1CN1CCNCC1
InChIInChI=1S/C12H18F3N3S/c1-8(2)10-9(7-18-5-3-16-4-6-18)19-11(17-10)12(13,14)15/h8,16H,3-7H2,1-2H3
InChIKeyODGLZCMEJOJPFR-UHFFFAOYSA-N
XLogP2.69
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(piperazin-1-ylmethyl)-4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(piperazin-1-ylmethyl)-4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole (CID 83959773) is 5-(piperazin-1-ylmethyl)-4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(piperazin-1-ylmethyl)-4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(piperazin-1-ylmethyl)-4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole is CC(C)c1nc(C(F)(F)F)sc1CN1CCNCC1.
What is the InChIKey of 5-(piperazin-1-ylmethyl)-4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is ODGLZCMEJOJPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3S/c1-8(2)10-9(7-18-5-3-16-4-6-18)19-11(17-10)12(13,14)15/h8,16H,3-7H2,1-2H3.
What are the key properties of 5-(piperazin-1-ylmethyl)-4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole?
5-(piperazin-1-ylmethyl)-4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 293.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperazin-1-ylmethyl)-4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 83959773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).