N-[5-(4-cyanobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

C21H12N4O3S — CID 23144676

IUPACN-[5-(4-cyanobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESN#Cc1ccc(C(=O)c2sc(NC(=O)c3ccncc3)nc2-c2ccco2)cc1
InChIInChI=1S/C21H12N4O3S/c22-12-13-3-5-14(6-4-13)18(26)19-17(16-2-1-11-28-16)24-21(29-19)25-20(27)15-7-9-23-10-8-15/h1-11H,(H,24,25,27)
InChIKeyOGSGOPRZWDCPKK-UHFFFAOYSA-N
MW400.42 g/mol
LogP4.15
Rot. Bonds5

About N-[5-(4-cyanobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

N-[5-(4-cyanobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 23144676) has the molecular formula C21H12N4O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is N-[5-(4-cyanobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(4-cyanobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID23144676
Molecular FormulaC21H12N4O3S
Molecular Weight400.42 g/mol
Exact Mass400.06
IUPAC NameN-[5-(4-cyanobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESN#Cc1ccc(C(=O)c2sc(NC(=O)c3ccncc3)nc2-c2ccco2)cc1
InChIInChI=1S/C21H12N4O3S/c22-12-13-3-5-14(6-4-13)18(26)19-17(16-2-1-11-28-16)24-21(29-19)25-20(27)15-7-9-23-10-8-15/h1-11H,(H,24,25,27)
InChIKeyOGSGOPRZWDCPKK-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 N-[5-(4-cyanobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[5-(4-cyanobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 23144676) is N-[5-(4-cyanobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-(4-cyanobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[5-(4-cyanobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is N#Cc1ccc(C(=O)c2sc(NC(=O)c3ccncc3)nc2-c2ccco2)cc1.
What is the InChIKey of N-[5-(4-cyanobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is OGSGOPRZWDCPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N4O3S/c22-12-13-3-5-14(6-4-13)18(26)19-17(16-2-1-11-28-16)24-21(29-19)25-20(27)15-7-9-23-10-8-15/h1-11H,(H,24,25,27).
What are the key properties of N-[5-(4-cyanobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[5-(4-cyanobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide 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 N-[5-(4-cyanobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 23144676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).