5-(difluoromethyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole

C9H13F2N3S — CID 174286508

IUPAC5-(difluoromethyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole
SMILESFC(F)c1cnc(CN2CCNCC2)s1
InChIInChI=1S/C9H13F2N3S/c10-9(11)7-5-13-8(15-7)6-14-3-1-12-2-4-14/h5,9,12H,1-4,6H2
InChIKeyONDQRDGIDLYFPL-UHFFFAOYSA-N
MW233.29 g/mol
LogP1.49
Rot. Bonds3

About 5-(difluoromethyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole

5-(difluoromethyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole (PubChem CID 174286508) has the molecular formula C9H13F2N3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(difluoromethyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole
PubChem CID174286508
Molecular FormulaC9H13F2N3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name5-(difluoromethyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole
SMILESFC(F)c1cnc(CN2CCNCC2)s1
InChIInChI=1S/C9H13F2N3S/c10-9(11)7-5-13-8(15-7)6-14-3-1-12-2-4-14/h5,9,12H,1-4,6H2
InChIKeyONDQRDGIDLYFPL-UHFFFAOYSA-N
XLogP1.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 5-(difluoromethyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole (CID 174286508) is 5-(difluoromethyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 5-(difluoromethyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 5-(difluoromethyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole is FC(F)c1cnc(CN2CCNCC2)s1.
What is the InChIKey of 5-(difluoromethyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole?
The InChIKey is ONDQRDGIDLYFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3S/c10-9(11)7-5-13-8(15-7)6-14-3-1-12-2-4-14/h5,9,12H,1-4,6H2.
What are the key properties of 5-(difluoromethyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole?
5-(difluoromethyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole has a molecular weight of 233.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 174286508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).