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

C21H19N3O4S — CID 90526395

IUPACN-[5-(4-oxo-4-phenylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
SMILESO=C(CCC(=O)N1CCc2nc(NC(=O)c3ccco3)sc2C1)c1ccccc1
InChIInChI=1S/C21H19N3O4S/c25-16(14-5-2-1-3-6-14)8-9-19(26)24-11-10-15-18(13-24)29-21(22-15)23-20(27)17-7-4-12-28-17/h1-7,12H,8-11,13H2,(H,22,23,27)
InChIKeyAXNXPMPYPRIBQK-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.54
Rot. Bonds6

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

N-[5-(4-oxo-4-phenylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide (PubChem CID 90526395) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[5-(4-oxo-4-phenylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-oxo-4-phenylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
PubChem CID90526395
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC NameN-[5-(4-oxo-4-phenylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
SMILESO=C(CCC(=O)N1CCc2nc(NC(=O)c3ccco3)sc2C1)c1ccccc1
InChIInChI=1S/C21H19N3O4S/c25-16(14-5-2-1-3-6-14)8-9-19(26)24-11-10-15-18(13-24)29-21(22-15)23-20(27)17-7-4-12-28-17/h1-7,12H,8-11,13H2,(H,22,23,27)
InChIKeyAXNXPMPYPRIBQK-UHFFFAOYSA-N
XLogP3.54
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90526767
N-[5-(2-ethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526439
N-[5-[2-(4-methylphenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526522
N-[5-(2-iodobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526486
N-[5-(pyridine-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526584
N-[5-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526404
N-[5-(cyclopentanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526442
N-[5-[2-(4-ethoxyphenyl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526530
N-[5-(4-cyanobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526592
N-[5-[3,5-bis(trifluoromethyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526504
N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-2-carboxamide
CID 44976263
N-[5-(1,3-benzothiazole-6-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 71788033

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-oxo-4-phenylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-(4-oxo-4-phenylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide (CID 90526395) is N-[5-(4-oxo-4-phenylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(4-oxo-4-phenylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-(4-oxo-4-phenylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide is O=C(CCC(=O)N1CCc2nc(NC(=O)c3ccco3)sc2C1)c1ccccc1.
What is the InChIKey of N-[5-(4-oxo-4-phenylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide?
The InChIKey is AXNXPMPYPRIBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c25-16(14-5-2-1-3-6-14)8-9-19(26)24-11-10-15-18(13-24)29-21(22-15)23-20(27)17-7-4-12-28-17/h1-7,12H,8-11,13H2,(H,22,23,27).
What are the key properties of N-[5-(4-oxo-4-phenylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide?
N-[5-(4-oxo-4-phenylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-oxo-4-phenylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide is sourced from PubChem (CID 90526395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).