N-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide

C20H19F3N4O2S — CID 129046732

IUPACN-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cscn2)CC1)c1ccco1
InChIInChI=1S/C20H19F3N4O2S/c21-20(22,23)14-3-4-17(16(10-14)25-19(28)18-2-1-9-29-18)27-7-5-26(6-8-27)11-15-12-30-13-24-15/h1-4,9-10,12-13H,5-8,11H2,(H,25,28)
InChIKeyXLOXVCRGXBNRGQ-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.33
Rot. Bonds5

About N-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 129046732) has the molecular formula C20H19F3N4O2S and a molecular weight of 436.46 g/mol. Its IUPAC name is N-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID129046732
Molecular FormulaC20H19F3N4O2S
Molecular Weight436.46 g/mol
Exact Mass436.12
IUPAC NameN-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cscn2)CC1)c1ccco1
InChIInChI=1S/C20H19F3N4O2S/c21-20(22,23)14-3-4-17(16(10-14)25-19(28)18-2-1-9-29-18)27-7-5-26(6-8-27)11-15-12-30-13-24-15/h1-4,9-10,12-13H,5-8,11H2,(H,25,28)
InChIKeyXLOXVCRGXBNRGQ-UHFFFAOYSA-N
XLogP4.33
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
CID 2811044
5-(oxan-4-yl)-N-[2-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 129032611
2-[4-(2-Furoyl)piperazine-1-yl]-N-[4-(2-methylthiazol-4-yl)phenyl]acetamide (5p)
CID 73443011
N-(3-{[1,3]Thiazolo[5,4-B]pyridin-2-YL}phenyl)furan-2-carboxamide
CID 3244574
N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 4336986
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
CID 852159
N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 129032594
5-(pyridin-4-yl)-N-(2-(4-(thiazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoromethyl)phenyl)furan-2-carboxamide
CID 129032596
5-(pyridin-4-yl)-N-(2-(4-(thiazol-2-ylmethyl)piperazin-1-yl)-5-(trifluoromethyl)phenyl)furan-2-carboxamide
CID 129032615
5-(oxan-4-yl)-N-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 129032661
5-(pyridin-4-yl)-N-(2-(5-(thiazol-2-ylmethyl)piperazin-1-yl)-5-(trifluoromethyl)phenyl)furan-2-carboxamide
CID 129046499
N-[2-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 129046501

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 129046732) is N-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2cscn2)CC1)c1ccco1.
What is the InChIKey of N-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is XLOXVCRGXBNRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2S/c21-20(22,23)14-3-4-17(16(10-14)25-19(28)18-2-1-9-29-18)27-7-5-26(6-8-27)11-15-12-30-13-24-15/h1-4,9-10,12-13H,5-8,11H2,(H,25,28).
What are the key properties of N-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 436.46 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 129046732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).