2-(furan-3-carbonylamino)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide

C19H15F3N4O3S — CID 71788324

IUPAC2-(furan-3-carbonylamino)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)Nc1ccccc1C(F)(F)F)CC2)c1ccoc1
InChIInChI=1S/C19H15F3N4O3S/c20-19(21,22)12-3-1-2-4-13(12)24-18(28)26-7-5-14-15(9-26)30-17(23-14)25-16(27)11-6-8-29-10-11/h1-4,6,8,10H,5,7,9H2,(H,24,28)(H,23,25,27)
InChIKeyHGEVROOWCUFNTD-UHFFFAOYSA-N
MW436.42 g/mol
LogP4.60
Rot. Bonds3

About 2-(furan-3-carbonylamino)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide

2-(furan-3-carbonylamino)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (PubChem CID 71788324) has the molecular formula C19H15F3N4O3S and a molecular weight of 436.42 g/mol. Its IUPAC name is 2-(furan-3-carbonylamino)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-(furan-3-carbonylamino)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
PubChem CID71788324
Molecular FormulaC19H15F3N4O3S
Molecular Weight436.42 g/mol
Exact Mass436.08
IUPAC Name2-(furan-3-carbonylamino)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)Nc1ccccc1C(F)(F)F)CC2)c1ccoc1
InChIInChI=1S/C19H15F3N4O3S/c20-19(21,22)12-3-1-2-4-13(12)24-18(28)26-7-5-14-15(9-26)30-17(23-14)25-16(27)11-6-8-29-10-11/h1-4,6,8,10H,5,7,9H2,(H,24,28)(H,23,25,27)
InChIKeyHGEVROOWCUFNTD-UHFFFAOYSA-N
XLogP4.60
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-carbonylamino)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The IUPAC name of 2-(furan-3-carbonylamino)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (CID 71788324) is 2-(furan-3-carbonylamino)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.
What is the SMILES notation for 2-(furan-3-carbonylamino)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The canonical SMILES for 2-(furan-3-carbonylamino)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is O=C(Nc1nc2c(s1)CN(C(=O)Nc1ccccc1C(F)(F)F)CC2)c1ccoc1.
What is the InChIKey of 2-(furan-3-carbonylamino)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The InChIKey is HGEVROOWCUFNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O3S/c20-19(21,22)12-3-1-2-4-13(12)24-18(28)26-7-5-14-15(9-26)30-17(23-14)25-16(27)11-6-8-29-10-11/h1-4,6,8,10H,5,7,9H2,(H,24,28)(H,23,25,27).
What are the key properties of 2-(furan-3-carbonylamino)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
2-(furan-3-carbonylamino)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide has a molecular weight of 436.42 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-carbonylamino)-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 71788324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).