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

C18H14F3N3O3S2 — CID 55607660

IUPACN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(trifluoromethylsulfanyl)benzamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)c3ccccc3SC(F)(F)F)n2)o1
InChIInChI=1S/C18H14F3N3O3S2/c1-10(25)22-8-11-6-7-14(27-11)13-9-28-17(23-13)24-16(26)12-4-2-3-5-15(12)29-18(19,20)21/h2-7,9H,8H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyQHZHMQWILUROHS-UHFFFAOYSA-N
MW441.46 g/mol
LogP4.90
Rot. Bonds6

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

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(trifluoromethylsulfanyl)benzamide (PubChem CID 55607660) has the molecular formula C18H14F3N3O3S2 and a molecular weight of 441.46 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(trifluoromethylsulfanyl)benzamide
PubChem CID55607660
Molecular FormulaC18H14F3N3O3S2
Molecular Weight441.46 g/mol
Exact Mass441.04
IUPAC NameN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(trifluoromethylsulfanyl)benzamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)c3ccccc3SC(F)(F)F)n2)o1
InChIInChI=1S/C18H14F3N3O3S2/c1-10(25)22-8-11-6-7-14(27-11)13-9-28-17(23-13)24-16(26)12-4-2-3-5-15(12)29-18(19,20)21/h2-7,9H,8H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyQHZHMQWILUROHS-UHFFFAOYSA-N
XLogP4.90
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 55543342
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 17398403
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylsulfanylacetamide
CID 51263114
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]-1-benzofuran-2-carboxamide
CID 51263111
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-hydroxy-4-methylbenzamide
CID 36540476
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]-5-chloro-2-hydroxybenzamide
CID 18127839
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]-2-tert-butylsulfanylacetamide
CID 35889870
(2R)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-aminopropanamide;hydrochloride
CID 119274954

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(trifluoromethylsulfanyl)benzamide (CID 55607660) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(trifluoromethylsulfanyl)benzamide is CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccccc3SC(F)(F)F)n2)o1.
What is the InChIKey of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(trifluoromethylsulfanyl)benzamide?
The InChIKey is QHZHMQWILUROHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O3S2/c1-10(25)22-8-11-6-7-14(27-11)13-9-28-17(23-13)24-16(26)12-4-2-3-5-15(12)29-18(19,20)21/h2-7,9H,8H2,1H3,(H,22,25)(H,23,24,26).
What are the key properties of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(trifluoromethylsulfanyl)benzamide?
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(trifluoromethylsulfanyl)benzamide has a molecular weight of 441.46 g/mol, XLogP of 4.90, 6 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-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 55607660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).