[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate

C24H19N3O5S — CID 2340194

IUPAC[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)Nc2nc(-c3ccccc3)cs2)cc1NC(=O)c1ccco1
InChIInChI=1S/C24H19N3O5S/c1-15-9-10-17(12-18(15)25-22(29)20-8-5-11-31-20)23(30)32-13-21(28)27-24-26-19(14-33-24)16-6-3-2-4-7-16/h2-12,14H,13H2,1H3,(H,25,29)(H,26,27,28)
InChIKeySKVNACLQMJDJNT-UHFFFAOYSA-N
MW461.50 g/mol
LogP4.76
Rot. Bonds7

About [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate

[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate (PubChem CID 2340194) has the molecular formula C24H19N3O5S and a molecular weight of 461.50 g/mol. Its IUPAC name is [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
PubChem CID2340194
Molecular FormulaC24H19N3O5S
Molecular Weight461.50 g/mol
Exact Mass461.10
IUPAC Name[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)Nc2nc(-c3ccccc3)cs2)cc1NC(=O)c1ccco1
InChIInChI=1S/C24H19N3O5S/c1-15-9-10-17(12-18(15)25-22(29)20-8-5-11-31-20)23(30)32-13-21(28)27-24-26-19(14-33-24)16-6-3-2-4-7-16/h2-12,14H,13H2,1H3,(H,25,29)(H,26,27,28)
InChIKeySKVNACLQMJDJNT-UHFFFAOYSA-N
XLogP4.76
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate with MolForge

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Related Compounds

N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 674790
A1/A3 AR antagonist 2
CID 162673862
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 733820
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
CID 8893265
5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 903361
N-[4-[1-(1-oxopropyl)-2,3-dihydroindol-5-yl]-2-thiazolyl]-2-furancarboxamide
CID 24761960
2-[(Furan-2-carbonyl)-amino]-benzothiazole-6-carboxylic acid ethyl ester
CID 646260
N-(3-{2-[(Furan-2-ylmethyl)-amino]-thiazol-4-yl}-phenyl)-acetamide
CID 647705
N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]furan-2-carboxamide
CID 738234
Ethyl 2-(furan-2-carboxamido)-4-phenylthiazole-5-carboxylate
CID 747391
N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]furan-2-carboxamide
CID 887512
N-(4-{2-[(Furan-2-ylmethyl)-amino]-thiazol-4-yl}-phenyl)-acetamide
CID 972496

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
The IUPAC name of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate (CID 2340194) is [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate.
What is the SMILES notation for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
The canonical SMILES for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate is Cc1ccc(C(=O)OCC(=O)Nc2nc(-c3ccccc3)cs2)cc1NC(=O)c1ccco1.
What is the InChIKey of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
The InChIKey is SKVNACLQMJDJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O5S/c1-15-9-10-17(12-18(15)25-22(29)20-8-5-11-31-20)23(30)32-13-21(28)27-24-26-19(14-33-24)16-6-3-2-4-7-16/h2-12,14H,13H2,1H3,(H,25,29)(H,26,27,28).
What are the key properties of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate has a molecular weight of 461.50 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate is sourced from PubChem (CID 2340194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).