2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole

C13H14F3N3OS — CID 136535627

IUPAC2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1cnc(N2CCN(Cc3ccco3)CC2)s1
InChIInChI=1S/C13H14F3N3OS/c14-13(15,16)11-8-17-12(21-11)19-5-3-18(4-6-19)9-10-2-1-7-20-10/h1-2,7-8H,3-6,9H2
InChIKeyIOTRTASIQKJWQG-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.08
Rot. Bonds3

About 2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole

2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole (PubChem CID 136535627) has the molecular formula C13H14F3N3OS and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole
PubChem CID136535627
Molecular FormulaC13H14F3N3OS
Molecular Weight317.34 g/mol
Exact Mass317.08
IUPAC Name2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1cnc(N2CCN(Cc3ccco3)CC2)s1
InChIInChI=1S/C13H14F3N3OS/c14-13(15,16)11-8-17-12(21-11)19-5-3-18(4-6-19)9-10-2-1-7-20-10/h1-2,7-8H,3-6,9H2
InChIKeyIOTRTASIQKJWQG-UHFFFAOYSA-N
XLogP3.08
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 771867
2-[4-(furan-2-ylmethyl)piperazin-1-yl]aniline
CID 19626878
2-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 3861631
1-(furan-2-ylmethyl)-4-methylpiperazine;methanamine
CID 162740974
1-(furan-2-ylmethyl)-4-pentan-3-ylpiperazine
CID 764594
2-amino-2-ethyl-1-[4-(furan-2-ylmethyl)piperazin-1-yl]butan-1-one
CID 79810335
N-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine
CID 45196359
1-(furan-2-ylmethyl)piperidine;methanamine
CID 162741090
1-(furan-2-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 91664788
3-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-amine
CID 22689734
1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine
CID 772071
5-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]-1,3-thiazole
CID 133351981

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole (CID 136535627) is 2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1cnc(N2CCN(Cc3ccco3)CC2)s1.
What is the InChIKey of 2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole?
The InChIKey is IOTRTASIQKJWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3OS/c14-13(15,16)11-8-17-12(21-11)19-5-3-18(4-6-19)9-10-2-1-7-20-10/h1-2,7-8H,3-6,9H2.
What are the key properties of 2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole?
2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole has a molecular weight of 317.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 136535627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).