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

C20H19F3N4O2S — CID 129046501

IUPACN-[2-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2nccs2)CC1)c1ccco1
InChIInChI=1S/C20H19F3N4O2S/c21-20(22,23)14-3-4-16(15(12-14)25-19(28)17-2-1-10-29-17)27-8-6-26(7-9-27)13-18-24-5-11-30-18/h1-5,10-12H,6-9,13H2,(H,25,28)
InChIKeyGUKQXYOHELMSBP-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.33
Rot. Bonds5

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

N-[2-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 129046501) has the molecular formula C20H19F3N4O2S and a molecular weight of 436.46 g/mol. Its IUPAC name is N-[2-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID129046501
Molecular FormulaC20H19F3N4O2S
Molecular Weight436.46 g/mol
Exact Mass436.12
IUPAC NameN-[2-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2nccs2)CC1)c1ccco1
InChIInChI=1S/C20H19F3N4O2S/c21-20(22,23)14-3-4-16(15(12-14)25-19(28)17-2-1-10-29-17)27-8-6-26(7-9-27)13-18-24-5-11-30-18/h1-5,10-12H,6-9,13H2,(H,25,28)
InChIKeyGUKQXYOHELMSBP-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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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 129046501) is N-[2-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2nccs2)CC1)c1ccco1.
What is the InChIKey of N-[2-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is GUKQXYOHELMSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2S/c21-20(22,23)14-3-4-16(15(12-14)25-19(28)17-2-1-10-29-17)27-8-6-26(7-9-27)13-18-24-5-11-30-18/h1-5,10-12H,6-9,13H2,(H,25,28).
What are the key properties of N-[2-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[2-[4-(1,3-thiazol-2-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-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 129046501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).