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

C20H18N4O2S2 — CID 52875608

IUPACN-[[5-[2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2csc(-c3ccc(Nc4nc(C)cs4)cc3)n2)o1
InChIInChI=1S/C20H18N4O2S2/c1-12-10-28-20(22-12)23-15-5-3-14(4-6-15)19-24-17(11-27-19)18-8-7-16(26-18)9-21-13(2)25/h3-8,10-11H,9H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyFACQBZLXFVRFBC-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.21
Rot. Bonds6

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

N-[[5-[2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide (PubChem CID 52875608) has the molecular formula C20H18N4O2S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[[5-[2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
PubChem CID52875608
Molecular FormulaC20H18N4O2S2
Molecular Weight410.52 g/mol
Exact Mass410.09
IUPAC NameN-[[5-[2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2csc(-c3ccc(Nc4nc(C)cs4)cc3)n2)o1
InChIInChI=1S/C20H18N4O2S2/c1-12-10-28-20(22-12)23-15-5-3-14(4-6-15)19-24-17(11-27-19)18-8-7-16(26-18)9-21-13(2)25/h3-8,10-11H,9H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyFACQBZLXFVRFBC-UHFFFAOYSA-N
XLogP5.21
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-[2-(4-methylanilino)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 31978588
N-[[5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 17464665
N-[4-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]phenyl]thiophene-2-carboxamide
CID 52563307
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-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 119696349
N-[[5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 31978592
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]-1-benzofuran-2-carboxamide
CID 51263111
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]-5-methylpyrazine-2-carboxamide
CID 24644942
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]-4-fluorobenzamide
CID 17398403

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The IUPAC name of 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) is N-[[5-[2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide is CC(=O)NCc1ccc(-c2csc(-c3ccc(Nc4nc(C)cs4)cc3)n2)o1.
What is the InChIKey of N-[[5-[2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The InChIKey is FACQBZLXFVRFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S2/c1-12-10-28-20(22-12)23-15-5-3-14(4-6-15)19-24-17(11-27-19)18-8-7-16(26-18)9-21-13(2)25/h3-8,10-11H,9H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of N-[[5-[2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
N-[[5-[2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide has a molecular weight of 410.52 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide is sourced from PubChem (CID 52875608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).