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

C20H17N3O4S — CID 23144241

IUPACN-[4-(furan-2-yl)-5-(4-oxocyclohexanecarbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESO=C1CCC(C(=O)c2sc(NC(=O)c3ccncc3)nc2-c2ccco2)CC1
InChIInChI=1S/C20H17N3O4S/c24-14-5-3-12(4-6-14)17(25)18-16(15-2-1-11-27-15)22-20(28-18)23-19(26)13-7-9-21-10-8-13/h1-2,7-12H,3-6H2,(H,22,23,26)
InChIKeyFMNLDMPODMOBSN-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.99
Rot. Bonds5

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

N-[4-(furan-2-yl)-5-(4-oxocyclohexanecarbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 23144241) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-(4-oxocyclohexanecarbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-(4-oxocyclohexanecarbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID23144241
Molecular FormulaC20H17N3O4S
Molecular Weight395.44 g/mol
Exact Mass395.09
IUPAC NameN-[4-(furan-2-yl)-5-(4-oxocyclohexanecarbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESO=C1CCC(C(=O)c2sc(NC(=O)c3ccncc3)nc2-c2ccco2)CC1
InChIInChI=1S/C20H17N3O4S/c24-14-5-3-12(4-6-14)17(25)18-16(15-2-1-11-27-15)22-20(28-18)23-19(26)13-7-9-21-10-8-13/h1-2,7-12H,3-6H2,(H,22,23,26)
InChIKeyFMNLDMPODMOBSN-UHFFFAOYSA-N
XLogP3.99
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.99
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-(4-oxocyclohexanecarbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-5-(4-oxocyclohexanecarbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 23144241) is N-[4-(furan-2-yl)-5-(4-oxocyclohexanecarbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-(4-oxocyclohexanecarbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-(4-oxocyclohexanecarbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is O=C1CCC(C(=O)c2sc(NC(=O)c3ccncc3)nc2-c2ccco2)CC1.
What is the InChIKey of N-[4-(furan-2-yl)-5-(4-oxocyclohexanecarbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is FMNLDMPODMOBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S/c24-14-5-3-12(4-6-14)17(25)18-16(15-2-1-11-27-15)22-20(28-18)23-19(26)13-7-9-21-10-8-13/h1-2,7-12H,3-6H2,(H,22,23,26).
What are the key properties of N-[4-(furan-2-yl)-5-(4-oxocyclohexanecarbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[4-(furan-2-yl)-5-(4-oxocyclohexanecarbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 3.99, 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-(4-oxocyclohexanecarbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 23144241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).