5-acetyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide;5-ethyl-N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C65H63N9O13S3 — CID 157383326

IUPAC5-acetyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide;5-ethyl-N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCC(=O)c1cc(C(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCOCC3)s2)cnc1C.CCc1cncc(C(=O)Nc2nc(-c3ccoc3)c(C(=O)C3CCOCC3)s2)c1.O=C(Nc1nc(-c2ccoc2)c(C(=O)C2CCOCC2)s1)c1cnc2c(c1)CCC2
InChIInChI=1S/C22H21N3O5S.C22H21N3O4S.C21H21N3O4S/c1-12-16(13(2)26)10-15(11-23-12)21(28)25-22-24-18(17-4-3-7-30-17)20(31-22)19(27)14-5-8-29-9-6-14;26-19(13-4-7-28-8-5-13)20-18(15-6-9-29-12-15)24-22(30-20)25-21(27)16-10-14-2-1-3-17(14)23-11-16;1-2-13-9-16(11-22-10-13)20(26)24-21-23-17(15-5-8-28-12-15)19(29-21)18(25)14-3-6-27-7-4-14/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3,(H,24,25,28);6,9-13H,1-5,7-8H2,(H,24,25,27);5,8-12,14H,2-4,6-7H2,1H3,(H,23,24,26)
InChIKeyBLDJMWANUJHQEU-UHFFFAOYSA-N
MW1274.47 g/mol
LogP12.54
Rot. Bonds17

About 5-acetyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide;5-ethyl-N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

5-acetyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide;5-ethyl-N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 157383326) has the molecular formula C65H63N9O13S3 and a molecular weight of 1274.47 g/mol. Its IUPAC name is 5-acetyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide;5-ethyl-N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide;5-ethyl-N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID157383326
Molecular FormulaC65H63N9O13S3
Molecular Weight1274.47 g/mol
Exact Mass1273.37
IUPAC Name5-acetyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide;5-ethyl-N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCC(=O)c1cc(C(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCOCC3)s2)cnc1C.CCc1cncc(C(=O)Nc2nc(-c3ccoc3)c(C(=O)C3CCOCC3)s2)c1.O=C(Nc1nc(-c2ccoc2)c(C(=O)C2CCOCC2)s1)c1cnc2c(c1)CCC2
InChIInChI=1S/C22H21N3O5S.C22H21N3O4S.C21H21N3O4S/c1-12-16(13(2)26)10-15(11-23-12)21(28)25-22-24-18(17-4-3-7-30-17)20(31-22)19(27)14-5-8-29-9-6-14;26-19(13-4-7-28-8-5-13)20-18(15-6-9-29-12-15)24-22(30-20)25-21(27)16-10-14-2-1-3-17(14)23-11-16;1-2-13-9-16(11-22-10-13)20(26)24-21-23-17(15-5-8-28-12-15)19(29-21)18(25)14-3-6-27-7-4-14/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3,(H,24,25,28);6,9-13H,1-5,7-8H2,(H,24,25,27);5,8-12,14H,2-4,6-7H2,1H3,(H,23,24,26)
InChIKeyBLDJMWANUJHQEU-UHFFFAOYSA-N
XLogP12.54
TPSA300.03 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001274.47
LogP ≤ 512.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze 5-acetyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide;5-ethyl-N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide with MolForge

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Related Compounds

Sipagladenant
CID 23144148
3-Pyridinecarboxamide,n-[4-(2-furanyl)-5-(4-pyridinyl)-2-thiazolyl]-
CID 11175471
N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide
CID 23144085
N-[4-(furan-2-yl)-5-(4-methylpyridine-2-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 23144094
N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-5-methylpyridine-3-carboxamide
CID 23144125
N-[4-(furan-2-yl)-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 23144132
N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 23144137
N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 23144160
N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 23144169
N-[4-(2-Furyl)-5-(2-methylpyridin-5-ylcarbonyl)thiazol-2-yl]pyridine-4-carboxamide
CID 23144189
N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-2-methylpyridine-3-carboxamide
CID 23144206
N-[4-(furan-2-yl)-5-(2-methylpyridine-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide
CID 23144218

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide;5-ethyl-N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 5-acetyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide;5-ethyl-N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 157383326) is 5-acetyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide;5-ethyl-N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 5-acetyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide;5-ethyl-N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 5-acetyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide;5-ethyl-N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is CC(=O)c1cc(C(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCOCC3)s2)cnc1C.CCc1cncc(C(=O)Nc2nc(-c3ccoc3)c(C(=O)C3CCOCC3)s2)c1.O=C(Nc1nc(-c2ccoc2)c(C(=O)C2CCOCC2)s1)c1cnc2c(c1)CCC2.
What is the InChIKey of 5-acetyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide;5-ethyl-N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is BLDJMWANUJHQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5S.C22H21N3O4S.C21H21N3O4S/c1-12-16(13(2)26)10-15(11-23-12)21(28)25-22-24-18(17-4-3-7-30-17)20(31-22)19(27)14-5-8-29-9-6-14;26-19(13-4-7-28-8-5-13)20-18(15-6-9-29-12-15)24-22(30-20)25-21(27)16-10-14-2-1-3-17(14)23-11-16;1-2-13-9-16(11-22-10-13)20(26)24-21-23-17(15-5-8-28-12-15)19(29-21)18(25)14-3-6-27-7-4-14/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3,(H,24,25,28);6,9-13H,1-5,7-8H2,(H,24,25,27);5,8-12,14H,2-4,6-7H2,1H3,(H,23,24,26).
What are the key properties of 5-acetyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide;5-ethyl-N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
5-acetyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide;5-ethyl-N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 1274.47 g/mol, XLogP of 12.54, 17 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide;5-ethyl-N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;N-[4-(furan-3-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 157383326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).