N-[[5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide

C17H16N2O3S — CID 17464665

IUPACN-[[5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
SMILESCOc1ccc(-c2nc(-c3ccc(CNC(C)=O)o3)cs2)cc1
InChIInChI=1S/C17H16N2O3S/c1-11(20)18-9-14-7-8-16(22-14)15-10-23-17(19-15)12-3-5-13(21-2)6-4-12/h3-8,10H,9H2,1-2H3,(H,18,20)
InChIKeyXUJCRIWUIIHKDV-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.71
Rot. Bonds5

About N-[[5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide

N-[[5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide (PubChem CID 17464665) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[[5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
PubChem CID17464665
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-[[5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
SMILESCOc1ccc(-c2nc(-c3ccc(CNC(C)=O)o3)cs2)cc1
InChIInChI=1S/C17H16N2O3S/c1-11(20)18-9-14-7-8-16(22-14)15-10-23-17(19-15)12-3-5-13(21-2)6-4-12/h3-8,10H,9H2,1-2H3,(H,18,20)
InChIKeyXUJCRIWUIIHKDV-UHFFFAOYSA-N
XLogP3.71
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 17460448
N-[[5-[2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 52875608
N-[[5-[2-[[amino-(4-methoxyanilino)methylidene]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 67808925
N-[4-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]phenyl]thiophene-2-carboxamide
CID 52563307
N-[[5-(2-benzyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide
CID 32618019
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 24570817
N-[(2S)-1-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 36540569
N-[[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 47411263
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-phenoxybenzamide
CID 24570801
N-[[5-[2-(4-methylanilino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 31978588
N-[[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 31060887
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)propanamide
CID 18127807

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide (CID 17464665) is N-[[5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide is COc1ccc(-c2nc(-c3ccc(CNC(C)=O)o3)cs2)cc1.
What is the InChIKey of N-[[5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The InChIKey is XUJCRIWUIIHKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-11(20)18-9-14-7-8-16(22-14)15-10-23-17(19-15)12-3-5-13(21-2)6-4-12/h3-8,10H,9H2,1-2H3,(H,18,20).
What are the key properties of N-[[5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
N-[[5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide has a molecular weight of 328.39 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide is sourced from PubChem (CID 17464665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).