N-[2-(2-amino-2-oxoethyl)sulfanyl-4-phenyl-1,3-thiazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide

C21H16N4O3S2 — CID 25283000

IUPACN-[2-(2-amino-2-oxoethyl)sulfanyl-4-phenyl-1,3-thiazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)C(=O)c2c[nH]c3ccccc23)s1
InChIInChI=1S/C21H16N4O3S2/c22-16(26)11-29-21-24-17(12-6-2-1-3-7-12)20(30-21)25-19(28)18(27)14-10-23-15-9-5-4-8-13(14)15/h1-10,23H,11H2,(H2,22,26)(H,25,28)
InChIKeyRMUMYIODSCKUHL-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.69
Rot. Bonds7

About N-[2-(2-amino-2-oxoethyl)sulfanyl-4-phenyl-1,3-thiazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide

N-[2-(2-amino-2-oxoethyl)sulfanyl-4-phenyl-1,3-thiazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 25283000) has the molecular formula C21H16N4O3S2 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)sulfanyl-4-phenyl-1,3-thiazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)sulfanyl-4-phenyl-1,3-thiazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID25283000
Molecular FormulaC21H16N4O3S2
Molecular Weight436.52 g/mol
Exact Mass436.07
IUPAC NameN-[2-(2-amino-2-oxoethyl)sulfanyl-4-phenyl-1,3-thiazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)C(=O)c2c[nH]c3ccccc23)s1
InChIInChI=1S/C21H16N4O3S2/c22-16(26)11-29-21-24-17(12-6-2-1-3-7-12)20(30-21)25-19(28)18(27)14-10-23-15-9-5-4-8-13(14)15/h1-10,23H,11H2,(H2,22,26)(H,25,28)
InChIKeyRMUMYIODSCKUHL-UHFFFAOYSA-N
XLogP3.69
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanyl-4-phenyl-1,3-thiazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanyl-4-phenyl-1,3-thiazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide (CID 25283000) is N-[2-(2-amino-2-oxoethyl)sulfanyl-4-phenyl-1,3-thiazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)sulfanyl-4-phenyl-1,3-thiazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)sulfanyl-4-phenyl-1,3-thiazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide is NC(=O)CSc1nc(-c2ccccc2)c(NC(=O)C(=O)c2c[nH]c3ccccc23)s1.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)sulfanyl-4-phenyl-1,3-thiazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is RMUMYIODSCKUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3S2/c22-16(26)11-29-21-24-17(12-6-2-1-3-7-12)20(30-21)25-19(28)18(27)14-10-23-15-9-5-4-8-13(14)15/h1-10,23H,11H2,(H2,22,26)(H,25,28).
What are the key properties of N-[2-(2-amino-2-oxoethyl)sulfanyl-4-phenyl-1,3-thiazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide?
N-[2-(2-amino-2-oxoethyl)sulfanyl-4-phenyl-1,3-thiazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 436.52 g/mol, XLogP of 3.69, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)sulfanyl-4-phenyl-1,3-thiazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 25283000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).