4-cyano-N-[4-(furan-2-yl)-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]benzamide

C21H12N4O3S — CID 23144145

IUPAC4-cyano-N-[4-(furan-2-yl)-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2nc(-c3ccco3)c(C(=O)c3cccnc3)s2)cc1
InChIInChI=1S/C21H12N4O3S/c22-11-13-5-7-14(8-6-13)20(27)25-21-24-17(16-4-2-10-28-16)19(29-21)18(26)15-3-1-9-23-12-15/h1-10,12H,(H,24,25,27)
InChIKeyDKQAQKAAJPXMNC-UHFFFAOYSA-N
MW400.42 g/mol
LogP4.15
Rot. Bonds5

About 4-cyano-N-[4-(furan-2-yl)-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]benzamide

4-cyano-N-[4-(furan-2-yl)-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 23144145) has the molecular formula C21H12N4O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is 4-cyano-N-[4-(furan-2-yl)-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[4-(furan-2-yl)-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]benzamide
PubChem CID23144145
Molecular FormulaC21H12N4O3S
Molecular Weight400.42 g/mol
Exact Mass400.06
IUPAC Name4-cyano-N-[4-(furan-2-yl)-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2nc(-c3ccco3)c(C(=O)c3cccnc3)s2)cc1
InChIInChI=1S/C21H12N4O3S/c22-11-13-5-7-14(8-6-13)20(27)25-21-24-17(16-4-2-10-28-16)19(29-21)18(26)15-3-1-9-23-12-15/h1-10,12H,(H,24,25,27)
InChIKeyDKQAQKAAJPXMNC-UHFFFAOYSA-N
XLogP4.15
TPSA108.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-(furan-2-yl)-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-cyano-N-[4-(furan-2-yl)-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]benzamide (CID 23144145) is 4-cyano-N-[4-(furan-2-yl)-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-cyano-N-[4-(furan-2-yl)-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-cyano-N-[4-(furan-2-yl)-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]benzamide is N#Cc1ccc(C(=O)Nc2nc(-c3ccco3)c(C(=O)c3cccnc3)s2)cc1.
What is the InChIKey of 4-cyano-N-[4-(furan-2-yl)-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is DKQAQKAAJPXMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N4O3S/c22-11-13-5-7-14(8-6-13)20(27)25-21-24-17(16-4-2-10-28-16)19(29-21)18(26)15-3-1-9-23-12-15/h1-10,12H,(H,24,25,27).
What are the key properties of 4-cyano-N-[4-(furan-2-yl)-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]benzamide?
4-cyano-N-[4-(furan-2-yl)-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 400.42 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-(furan-2-yl)-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 23144145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).