2-(furan-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

C18H11F3N4O2S — CID 36842338

IUPAC2-(furan-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1csc(-c2ccco2)n1
InChIInChI=1S/C18H11F3N4O2S/c19-18(20,21)11-4-5-14(25-7-2-6-22-25)12(9-11)23-16(26)13-10-28-17(24-13)15-3-1-8-27-15/h1-10H,(H,23,26)
InChIKeyHHFDGKJVCJWOPK-UHFFFAOYSA-N
MW404.37 g/mol
LogP4.86
Rot. Bonds4

About 2-(furan-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

2-(furan-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 36842338) has the molecular formula C18H11F3N4O2S and a molecular weight of 404.37 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID36842338
Molecular FormulaC18H11F3N4O2S
Molecular Weight404.37 g/mol
Exact Mass404.06
IUPAC Name2-(furan-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1csc(-c2ccco2)n1
InChIInChI=1S/C18H11F3N4O2S/c19-18(20,21)11-4-5-14(25-7-2-6-22-25)12(9-11)23-16(26)13-10-28-17(24-13)15-3-1-8-27-15/h1-10H,(H,23,26)
InChIKeyHHFDGKJVCJWOPK-UHFFFAOYSA-N
XLogP4.86
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 36842338) is 2-(furan-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1csc(-c2ccco2)n1.
What is the InChIKey of 2-(furan-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HHFDGKJVCJWOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4O2S/c19-18(20,21)11-4-5-14(25-7-2-6-22-25)12(9-11)23-16(26)13-10-28-17(24-13)15-3-1-8-27-15/h1-10H,(H,23,26).
What are the key properties of 2-(furan-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
2-(furan-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 404.37 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 36842338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).