N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

C20H16F3N3O4S — CID 23144692

IUPACN-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C20H16F3N3O4S/c21-20(22,23)14-4-3-12(10-24-14)18(28)26-19-25-15(13-2-1-7-30-13)17(31-19)16(27)11-5-8-29-9-6-11/h1-4,7,10-11H,5-6,8-9H2,(H,25,26,28)
InChIKeyKKKVWALXBNYJBK-UHFFFAOYSA-N
MW451.43 g/mol
LogP4.68
Rot. Bonds5

About N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 23144692) has the molecular formula C20H16F3N3O4S and a molecular weight of 451.43 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID23144692
Molecular FormulaC20H16F3N3O4S
Molecular Weight451.43 g/mol
Exact Mass451.08
IUPAC NameN-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C20H16F3N3O4S/c21-20(22,23)14-4-3-12(10-24-14)18(28)26-19-25-15(13-2-1-7-30-13)17(31-19)16(27)11-5-8-29-9-6-11/h1-4,7,10-11H,5-6,8-9H2,(H,25,26,28)
InChIKeyKKKVWALXBNYJBK-UHFFFAOYSA-N
XLogP4.68
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 23144692) is N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is O=C(Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is KKKVWALXBNYJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O4S/c21-20(22,23)14-4-3-12(10-24-14)18(28)26-19-25-15(13-2-1-7-30-13)17(31-19)16(27)11-5-8-29-9-6-11/h1-4,7,10-11H,5-6,8-9H2,(H,25,26,28).
What are the key properties of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 451.43 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 23144692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).