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

C18H19N3O2S — CID 31060887

IUPACN-[[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2csc(NCCc3ccccc3)n2)o1
InChIInChI=1S/C18H19N3O2S/c1-13(22)20-11-15-7-8-17(23-15)16-12-24-18(21-16)19-10-9-14-5-3-2-4-6-14/h2-8,12H,9-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyQQFAFTCXBDPCPK-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.69
Rot. Bonds7

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

N-[[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide (PubChem CID 31060887) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
PubChem CID31060887
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2csc(NCCc3ccccc3)n2)o1
InChIInChI=1S/C18H19N3O2S/c1-13(22)20-11-15-7-8-17(23-15)16-12-24-18(21-16)19-10-9-14-5-3-2-4-6-14/h2-8,12H,9-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyQQFAFTCXBDPCPK-UHFFFAOYSA-N
XLogP3.69
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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]furan-2-carboxamide
CID 42378438
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-[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]-3-(2-methoxyphenyl)propanamide
CID 18127807
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(3-fluorophenyl)acetamide
CID 24570721
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-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-(4-chlorophenyl)butanamide
CID 47046898
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-phenylmethoxybenzamide
CID 24570707
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylsulfanylacetamide
CID 51263114

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide (CID 31060887) is N-[[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide is CC(=O)NCc1ccc(-c2csc(NCCc3ccccc3)n2)o1.
What is the InChIKey of N-[[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The InChIKey is QQFAFTCXBDPCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-13(22)20-11-15-7-8-17(23-15)16-12-24-18(21-16)19-10-9-14-5-3-2-4-6-14/h2-8,12H,9-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
N-[[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide has a molecular weight of 341.44 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide is sourced from PubChem (CID 31060887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).