N-[5-(2-phenoxypropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide

C20H19N3O4S — CID 71788292

IUPACN-[5-(2-phenoxypropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
SMILESCC(Oc1ccccc1)C(=O)N1CCc2nc(NC(=O)c3ccoc3)sc2C1
InChIInChI=1S/C20H19N3O4S/c1-13(27-15-5-3-2-4-6-15)19(25)23-9-7-16-17(11-23)28-20(21-16)22-18(24)14-8-10-26-12-14/h2-6,8,10,12-13H,7,9,11H2,1H3,(H,21,22,24)
InChIKeyLYQWMDQXGSQNMW-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.34
Rot. Bonds5

About N-[5-(2-phenoxypropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide

N-[5-(2-phenoxypropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide (PubChem CID 71788292) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[5-(2-phenoxypropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2-phenoxypropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
PubChem CID71788292
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN-[5-(2-phenoxypropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
SMILESCC(Oc1ccccc1)C(=O)N1CCc2nc(NC(=O)c3ccoc3)sc2C1
InChIInChI=1S/C20H19N3O4S/c1-13(27-15-5-3-2-4-6-15)19(25)23-9-7-16-17(11-23)28-20(21-16)22-18(24)14-8-10-26-12-14/h2-6,8,10,12-13H,7,9,11H2,1H3,(H,21,22,24)
InChIKeyLYQWMDQXGSQNMW-UHFFFAOYSA-N
XLogP3.34
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-(2-phenoxypropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide with MolForge

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Related Compounds

N-[5-(2-phenoxypropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
CID 90526965
ethyl N-[5-(2-phenoxypropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527899
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-3-carboxamide
CID 17455381
N-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
CID 90531672
2-(furan-3-carbonylamino)-N-thiophen-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 71788322
N-[5-[2-(1-methylindol-3-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
CID 90531511
N-[5-[(E)-3-(furan-2-yl)prop-2-enoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
CID 90531496
N-[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
CID 97104375
N-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
CID 90531633
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(2-methylpropoxy)benzamide
CID 108725654
N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
CID 90531498
N-[5-(2-phenoxyacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525102

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-phenoxypropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
The IUPAC name of N-[5-(2-phenoxypropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide (CID 71788292) is N-[5-(2-phenoxypropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[5-(2-phenoxypropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[5-(2-phenoxypropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide is CC(Oc1ccccc1)C(=O)N1CCc2nc(NC(=O)c3ccoc3)sc2C1.
What is the InChIKey of N-[5-(2-phenoxypropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
The InChIKey is LYQWMDQXGSQNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-13(27-15-5-3-2-4-6-15)19(25)23-9-7-16-17(11-23)28-20(21-16)22-18(24)14-8-10-26-12-14/h2-6,8,10,12-13H,7,9,11H2,1H3,(H,21,22,24).
What are the key properties of N-[5-(2-phenoxypropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
N-[5-(2-phenoxypropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-phenoxypropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide is sourced from PubChem (CID 71788292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).