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

C17H16N2O2S — CID 32618019

IUPACN-[[5-(2-benzyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2csc(Cc3ccccc3)n2)o1
InChIInChI=1S/C17H16N2O2S/c1-12(20)18-10-14-7-8-16(21-14)15-11-22-17(19-15)9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,18,20)
InChIKeySISDYHKWUQIDQK-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.63
Rot. Bonds5

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

N-[[5-(2-benzyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide (PubChem CID 32618019) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[[5-(2-benzyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-(2-benzyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide
PubChem CID32618019
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-[[5-(2-benzyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2csc(Cc3ccccc3)n2)o1
InChIInChI=1S/C17H16N2O2S/c1-12(20)18-10-14-7-8-16(21-14)15-11-22-17(19-15)9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,18,20)
InChIKeySISDYHKWUQIDQK-UHFFFAOYSA-N
XLogP3.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 31060887
N-[[5-[2-(3-methoxypropyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 47411263
N-[[5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 17464665
N-[[5-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 17460448
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42378438
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 119696349
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 51263111
(E)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 27297928
N-[[5-[2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 47061881
(2R)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-aminopropanamide;hydrochloride
CID 119274954
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-phenoxybenzamide
CID 24570801
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(3-fluorophenyl)acetamide
CID 24570721

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-benzyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-(2-benzyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide (CID 32618019) is N-[[5-(2-benzyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-(2-benzyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-(2-benzyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide is CC(=O)NCc1ccc(-c2csc(Cc3ccccc3)n2)o1.
What is the InChIKey of N-[[5-(2-benzyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide?
The InChIKey is SISDYHKWUQIDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-12(20)18-10-14-7-8-16(21-14)15-11-22-17(19-15)9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,18,20).
What are the key properties of N-[[5-(2-benzyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide?
N-[[5-(2-benzyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide has a molecular weight of 312.39 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-benzyl-1,3-thiazol-4-yl)furan-2-yl]methyl]acetamide is sourced from PubChem (CID 32618019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).