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

C22H23N3O4S — CID 88590186

IUPAC5-ethyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
SMILESCCc1cc(C(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCOCC3)s2)cnc1C
InChIInChI=1S/C22H23N3O4S/c1-3-14-11-16(12-23-13(14)2)21(27)25-22-24-18(17-5-4-8-29-17)20(30-22)19(26)15-6-9-28-10-7-15/h4-5,8,11-12,15H,3,6-7,9-10H2,1-2H3,(H,24,25,27)
InChIKeyLPEBLPXOBSTJOB-UHFFFAOYSA-N
MW425.51 g/mol
LogP4.53
Rot. Bonds6

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

5-ethyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide (PubChem CID 88590186) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 5-ethyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
PubChem CID88590186
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name5-ethyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
SMILESCCc1cc(C(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCOCC3)s2)cnc1C
InChIInChI=1S/C22H23N3O4S/c1-3-14-11-16(12-23-13(14)2)21(27)25-22-24-18(17-5-4-8-29-17)20(30-22)19(26)15-6-9-28-10-7-15/h4-5,8,11-12,15H,3,6-7,9-10H2,1-2H3,(H,24,25,27)
InChIKeyLPEBLPXOBSTJOB-UHFFFAOYSA-N
XLogP4.53
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-ethyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide with MolForge

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Related Compounds

Furan-2-carboxylic acid (4-phenyl-5-pyridin-4-yl-thiazol-2-yl)-amide
CID 72197880
(4-(Furan-2-yl)-2-(thiophen-2-ylmethylamino)thiazol-5-yl)(phenyl)methanone
CID 15950360
(2-(3,4-Difluorobenzylamino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone
CID 16050635
(2-(Benzyl(furan-2-ylmethyl)amino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone
CID 25211166
(4-(Furan-2-yl)-2-(furan-2-ylmethylamino)thiazol-5-yl)(phenyl)methanone
CID 25211167
(4-(Furan-2-yl)-2-(methylamino)thiazol-5-yl)(phenyl)methanone
CID 44581364
(4-(Furan-2-yl)-2-(isobutylamino)thiazol-5-yl)(phenyl)methanone
CID 44581365
(4-(Furan-2-yl)-2-(2-methoxyethylamino)thiazol-5-yl)(phenyl)methanone
CID 44581366
N-(2-(5-benzoyl-4-(furan-2-yl)thiazol-2-ylamino)ethyl)acetamide
CID 44581368
1-(4-(5-Benzoyl-4-(furan-2-yl)thiazol-2-ylamino)piperidin-1-yl)ethanone
CID 44581369
[4-(Furan-2-yl)-2-{[2-(thiophen-2-yl)ethyl]amino}-1,3-thiazol-5-yl](phenyl)methanone
CID 44581428
(4-(Furan-2-yl)-2-(3-phenylpropylamino)thiazol-5-yl)(phenyl)methanone
CID 44581429

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 5-ethyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide (CID 88590186) is 5-ethyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide is CCc1cc(C(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCOCC3)s2)cnc1C.
What is the InChIKey of 5-ethyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is LPEBLPXOBSTJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-3-14-11-16(12-23-13(14)2)21(27)25-22-24-18(17-5-4-8-29-17)20(30-22)19(26)15-6-9-28-10-7-15/h4-5,8,11-12,15H,3,6-7,9-10H2,1-2H3,(H,24,25,27).
What are the key properties of 5-ethyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide?
5-ethyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 88590186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).