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

C17H21N3O3S — CID 90526439

IUPACN-[5-(2-ethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
SMILESCCC(CC)C(=O)N1CCc2nc(NC(=O)c3ccco3)sc2C1
InChIInChI=1S/C17H21N3O3S/c1-3-11(4-2)16(22)20-8-7-12-14(10-20)24-17(18-12)19-15(21)13-6-5-9-23-13/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,18,19,21)
InChIKeyRSOLHUIIIMHRHD-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.31
Rot. Bonds5

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

N-[5-(2-ethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide (PubChem CID 90526439) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[5-(2-ethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-ethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
PubChem CID90526439
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-[5-(2-ethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
SMILESCCC(CC)C(=O)N1CCc2nc(NC(=O)c3ccco3)sc2C1
InChIInChI=1S/C17H21N3O3S/c1-3-11(4-2)16(22)20-8-7-12-14(10-20)24-17(18-12)19-15(21)13-6-5-9-23-13/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,18,19,21)
InChIKeyRSOLHUIIIMHRHD-UHFFFAOYSA-N
XLogP3.31
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-2-carboxamide
CID 44976263
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-oxo-4-phenylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526395
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-(3,5-dimethoxyphenyl)-2-(furan-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90526763
N-[5-(3-methoxy-1-methylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 56765082
N-[5-(4-cyanobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526592
N-[5-(2-propylpentanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528299

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-ethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-(2-ethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide (CID 90526439) is N-[5-(2-ethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(2-ethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-(2-ethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide is CCC(CC)C(=O)N1CCc2nc(NC(=O)c3ccco3)sc2C1.
What is the InChIKey of N-[5-(2-ethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide?
The InChIKey is RSOLHUIIIMHRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-3-11(4-2)16(22)20-8-7-12-14(10-20)24-17(18-12)19-15(21)13-6-5-9-23-13/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,18,19,21).
What are the key properties of N-[5-(2-ethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide?
N-[5-(2-ethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-ethylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide is sourced from PubChem (CID 90526439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).