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

C20H21N3O3S2 — CID 86933488

IUPACN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methyl-3-phenylsulfanylpropanamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)C(C)CSc3ccccc3)n2)o1
InChIInChI=1S/C20H21N3O3S2/c1-13(11-27-16-6-4-3-5-7-16)19(25)23-20-22-17(12-28-20)18-9-8-15(26-18)10-21-14(2)24/h3-9,12-13H,10-11H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyVBHBLKBIZHJIQW-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.41
Rot. Bonds8

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

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methyl-3-phenylsulfanylpropanamide (PubChem CID 86933488) has the molecular formula C20H21N3O3S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methyl-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methyl-3-phenylsulfanylpropanamide
PubChem CID86933488
Molecular FormulaC20H21N3O3S2
Molecular Weight415.54 g/mol
Exact Mass415.10
IUPAC NameN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methyl-3-phenylsulfanylpropanamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)C(C)CSc3ccccc3)n2)o1
InChIInChI=1S/C20H21N3O3S2/c1-13(11-27-16-6-4-3-5-7-16)19(25)23-20-22-17(12-28-20)18-9-8-15(26-18)10-21-14(2)24/h3-9,12-13H,10-11H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyVBHBLKBIZHJIQW-UHFFFAOYSA-N
XLogP4.41
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-aminopropanamide;hydrochloride
CID 119274954
(2S)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-amino-4-methylpentanamide
CID 119696379
N-[(2S)-1-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2-chlorobenzamide
CID 24570788
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylsulfanylacetamide
CID 51263114
(E)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 27297928
N-[(2S)-1-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-4-tert-butylbenzamide
CID 36540505
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-aminobutanamide;hydrochloride
CID 119696366
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-phenoxybenzamide
CID 24570801
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]-2-(trifluoromethylsulfanyl)benzamide
CID 55607660
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 51263111

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methyl-3-phenylsulfanylpropanamide?
The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methyl-3-phenylsulfanylpropanamide (CID 86933488) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methyl-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methyl-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methyl-3-phenylsulfanylpropanamide is CC(=O)NCc1ccc(-c2csc(NC(=O)C(C)CSc3ccccc3)n2)o1.
What is the InChIKey of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methyl-3-phenylsulfanylpropanamide?
The InChIKey is VBHBLKBIZHJIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S2/c1-13(11-27-16-6-4-3-5-7-16)19(25)23-20-22-17(12-28-20)18-9-8-15(26-18)10-21-14(2)24/h3-9,12-13H,10-11H2,1-2H3,(H,21,24)(H,22,23,25).
What are the key properties of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methyl-3-phenylsulfanylpropanamide?
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methyl-3-phenylsulfanylpropanamide has a molecular weight of 415.54 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methyl-3-phenylsulfanylpropanamide is sourced from PubChem (CID 86933488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).