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

C9H13F2N3S — CID 174287049

IUPAC2-(difluoromethyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole
SMILESFC(F)c1ncc(CN2CCNCC2)s1
InChIInChI=1S/C9H13F2N3S/c10-8(11)9-13-5-7(15-9)6-14-3-1-12-2-4-14/h5,8,12H,1-4,6H2
InChIKeyCGKPBSIGOITSDD-UHFFFAOYSA-N
MW233.29 g/mol
LogP1.49
Rot. Bonds3

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

2-(difluoromethyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole (PubChem CID 174287049) has the molecular formula C9H13F2N3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole
PubChem CID174287049
Molecular FormulaC9H13F2N3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name2-(difluoromethyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole
SMILESFC(F)c1ncc(CN2CCNCC2)s1
InChIInChI=1S/C9H13F2N3S/c10-8(11)9-13-5-7(15-9)6-14-3-1-12-2-4-14/h5,8,12H,1-4,6H2
InChIKeyCGKPBSIGOITSDD-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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Related Compounds

[(2-Ethyl-1,3-thiazol-5-yl)methyl](methyl)amine
CID 50987848
1-[(2-Methyl-1,3-thiazol-5-yl)methyl]piperazine
CID 52319808
N,2-Dimethyl-5-thiazolemethanamine
CID 20312952
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 19046697
1-[2-(Difluoromethyl)-1,3-thiazol-5-yl]methanamine hydrochloride
CID 165691597
1-[5-(Trifluoromethyl)-1,3-thiazol-2-yl]methanamine hydrochloride
CID 167734686
2-[[2-(Trifluoromethyl)-1,3-thiazol-5-yl]methylamino]ethanethiol
CID 21698294
2,2,2-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60776622
N'-[(2-fluoro-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 70457961
N'-[[2-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70457990
N'-[[2-[chloro(difluoro)methyl]sulfanyl-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458314
N'-[(2-chloro-1,3-thiazol-5-yl)-(difluoromethylsulfanyl)methyl]ethane-1,2-diamine
CID 70458317

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-(difluoromethyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole (CID 174287049) is 2-(difluoromethyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-(difluoromethyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole is FC(F)c1ncc(CN2CCNCC2)s1.
What is the InChIKey of 2-(difluoromethyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole?
The InChIKey is CGKPBSIGOITSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3S/c10-8(11)9-13-5-7(15-9)6-14-3-1-12-2-4-14/h5,8,12H,1-4,6H2.
What are the key properties of 2-(difluoromethyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole?
2-(difluoromethyl)-5-(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 2-(difluoromethyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 174287049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).