N-[2-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]ethyl]acetamide

C18H17N3O3S — CID 44581368

IUPACN-[2-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C18H17N3O3S/c1-12(22)19-9-10-20-18-21-15(14-8-5-11-24-14)17(25-18)16(23)13-6-3-2-4-7-13/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKeyQCWIIINNGDMPMR-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.18
Rot. Bonds7

About N-[2-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]ethyl]acetamide

N-[2-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]ethyl]acetamide (PubChem CID 44581368) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[2-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]ethyl]acetamide
PubChem CID44581368
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[2-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C18H17N3O3S/c1-12(22)19-9-10-20-18-21-15(14-8-5-11-24-14)17(25-18)16(23)13-6-3-2-4-7-13/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKeyQCWIIINNGDMPMR-UHFFFAOYSA-N
XLogP3.18
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-((3R,4R)-3-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-1-(furan-2-ylmethyl)piperidin-4-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea
CID 44445868
A1/A3 AR antagonist 2
CID 162673862
(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
1-((3S,4S)-4-(((S)-3-(4-fluorobenzyl)piperidin-1-yl)methyl)-1-(furan-2-ylmethyl)piperidin-3-yl)-3-(5-acetyl-4-methylthiazol-2-yl)urea
CID 44445889
(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
1-(4-(5-Benzoyl-4-(furan-2-yl)thiazol-2-ylamino)piperidin-1-yl)ethanone
CID 44581369
(2-(2-(Benzo[d][1,3]dioxol-5-yl)ethylamino)-4-(furan-2-yl)thiazol-5-yl)(phenyl)methanone
CID 44581398

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]ethyl]acetamide (CID 44581368) is N-[2-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]ethyl]acetamide is CC(=O)NCCNc1nc(-c2ccco2)c(C(=O)c2ccccc2)s1.
What is the InChIKey of N-[2-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]ethyl]acetamide?
The InChIKey is QCWIIINNGDMPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-12(22)19-9-10-20-18-21-15(14-8-5-11-24-14)17(25-18)16(23)13-6-3-2-4-7-13/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]ethyl]acetamide?
N-[2-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]ethyl]acetamide has a molecular weight of 355.42 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-benzoyl-4-(furan-2-yl)-1,3-thiazol-2-yl]amino]ethyl]acetamide is sourced from PubChem (CID 44581368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).