2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-[(1R)-1-phenylethoxy]propyl]acetamide

C20H22N2O3S — CID 51886493

IUPAC2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-[(1R)-1-phenylethoxy]propyl]acetamide
SMILESC[C@@H](OCCCNC(=O)Cc1csc(-c2ccco2)n1)c1ccccc1
InChIInChI=1S/C20H22N2O3S/c1-15(16-7-3-2-4-8-16)24-12-6-10-21-19(23)13-17-14-26-20(22-17)18-9-5-11-25-18/h2-5,7-9,11,14-15H,6,10,12-13H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyMGQNFRZILOFINA-OAHLLOKOSA-N
MW370.47 g/mol
LogP4.23
Rot. Bonds9

About 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-[(1R)-1-phenylethoxy]propyl]acetamide

2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-[(1R)-1-phenylethoxy]propyl]acetamide (PubChem CID 51886493) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-[(1R)-1-phenylethoxy]propyl]acetamide.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-[(1R)-1-phenylethoxy]propyl]acetamide
PubChem CID51886493
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-[(1R)-1-phenylethoxy]propyl]acetamide
SMILESC[C@@H](OCCCNC(=O)Cc1csc(-c2ccco2)n1)c1ccccc1
InChIInChI=1S/C20H22N2O3S/c1-15(16-7-3-2-4-8-16)24-12-6-10-21-19(23)13-17-14-26-20(22-17)18-9-5-11-25-18/h2-5,7-9,11,14-15H,6,10,12-13H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyMGQNFRZILOFINA-OAHLLOKOSA-N
XLogP4.23
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-phenylethoxy)propyl]acetamide
CID 46536784
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103876778
(2S)-3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-hydroxypropanoic acid
CID 107833521
2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 46635996
(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 79009387
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78956632
N-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 41230385
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 43132204
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80716928
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 38636231
N-[1-oxo-1-[3-(1-phenylethoxy)propylamino]propan-2-yl]furan-2-carboxamide
CID 46536778

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-[(1R)-1-phenylethoxy]propyl]acetamide?
The IUPAC name of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-[(1R)-1-phenylethoxy]propyl]acetamide (CID 51886493) is 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-[(1R)-1-phenylethoxy]propyl]acetamide.
What is the SMILES notation for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-[(1R)-1-phenylethoxy]propyl]acetamide?
The canonical SMILES for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-[(1R)-1-phenylethoxy]propyl]acetamide is C[C@@H](OCCCNC(=O)Cc1csc(-c2ccco2)n1)c1ccccc1.
What is the InChIKey of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-[(1R)-1-phenylethoxy]propyl]acetamide?
The InChIKey is MGQNFRZILOFINA-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-15(16-7-3-2-4-8-16)24-12-6-10-21-19(23)13-17-14-26-20(22-17)18-9-5-11-25-18/h2-5,7-9,11,14-15H,6,10,12-13H2,1H3,(H,21,23)/t15-/m1/s1.
What are the key properties of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-[(1R)-1-phenylethoxy]propyl]acetamide?
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-[(1R)-1-phenylethoxy]propyl]acetamide has a molecular weight of 370.47 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-[(1R)-1-phenylethoxy]propyl]acetamide is sourced from PubChem (CID 51886493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).