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

C17H20F3N5O2S — CID 131904436

IUPAC[5-(pyrrolidin-1-ylmethyl)furan-2-yl]-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(CN2CCCC2)o1)N1CCN(c2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C17H20F3N5O2S/c18-17(19,20)15-21-22-16(28-15)25-9-7-24(8-10-25)14(26)13-4-3-12(27-13)11-23-5-1-2-6-23/h3-4H,1-2,5-11H2
InChIKeyWGDOCIGTMAXZSC-UHFFFAOYSA-N
MW415.44 g/mol
LogP2.71
Rot. Bonds4

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

[5-(pyrrolidin-1-ylmethyl)furan-2-yl]-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone (PubChem CID 131904436) has the molecular formula C17H20F3N5O2S and a molecular weight of 415.44 g/mol. Its IUPAC name is [5-(pyrrolidin-1-ylmethyl)furan-2-yl]-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(pyrrolidin-1-ylmethyl)furan-2-yl]-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
PubChem CID131904436
Molecular FormulaC17H20F3N5O2S
Molecular Weight415.44 g/mol
Exact Mass415.13
IUPAC Name[5-(pyrrolidin-1-ylmethyl)furan-2-yl]-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(CN2CCCC2)o1)N1CCN(c2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C17H20F3N5O2S/c18-17(19,20)15-21-22-16(28-15)25-9-7-24(8-10-25)14(26)13-4-3-12(27-13)11-23-5-1-2-6-23/h3-4H,1-2,5-11H2
InChIKeyWGDOCIGTMAXZSC-UHFFFAOYSA-N
XLogP2.71
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(pyrrolidin-1-ylmethyl)furan-2-yl]-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone?
The IUPAC name of [5-(pyrrolidin-1-ylmethyl)furan-2-yl]-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone (CID 131904436) is [5-(pyrrolidin-1-ylmethyl)furan-2-yl]-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for [5-(pyrrolidin-1-ylmethyl)furan-2-yl]-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for [5-(pyrrolidin-1-ylmethyl)furan-2-yl]-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone is O=C(c1ccc(CN2CCCC2)o1)N1CCN(c2nnc(C(F)(F)F)s2)CC1.
What is the InChIKey of [5-(pyrrolidin-1-ylmethyl)furan-2-yl]-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone?
The InChIKey is WGDOCIGTMAXZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O2S/c18-17(19,20)15-21-22-16(28-15)25-9-7-24(8-10-25)14(26)13-4-3-12(27-13)11-23-5-1-2-6-23/h3-4H,1-2,5-11H2.
What are the key properties of [5-(pyrrolidin-1-ylmethyl)furan-2-yl]-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone?
[5-(pyrrolidin-1-ylmethyl)furan-2-yl]-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone has a molecular weight of 415.44 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(pyrrolidin-1-ylmethyl)furan-2-yl]-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 131904436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).