N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-indol-1-ylacetamide

C20H20N4O2S2 — CID 22971233

IUPACN-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-indol-1-ylacetamide
SMILESCCc1cnc(C(C)Sc2cnc(NC(=O)Cn3ccc4ccccc43)s2)o1
InChIInChI=1S/C20H20N4O2S2/c1-3-15-10-21-19(26-15)13(2)27-18-11-22-20(28-18)23-17(25)12-24-9-8-14-6-4-5-7-16(14)24/h4-11,13H,3,12H2,1-2H3,(H,22,23,25)
InChIKeyHCXJAUFROQQFKU-UHFFFAOYSA-N
MW412.54 g/mol
LogP5.14
Rot. Bonds7

About N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-indol-1-ylacetamide

N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-indol-1-ylacetamide (PubChem CID 22971233) has the molecular formula C20H20N4O2S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-indol-1-ylacetamide
PubChem CID22971233
Molecular FormulaC20H20N4O2S2
Molecular Weight412.54 g/mol
Exact Mass412.10
IUPAC NameN-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-indol-1-ylacetamide
SMILESCCc1cnc(C(C)Sc2cnc(NC(=O)Cn3ccc4ccccc43)s2)o1
InChIInChI=1S/C20H20N4O2S2/c1-3-15-10-21-19(26-15)13(2)27-18-11-22-20(28-18)23-17(25)12-24-9-8-14-6-4-5-7-16(14)24/h4-11,13H,3,12H2,1-2H3,(H,22,23,25)
InChIKeyHCXJAUFROQQFKU-UHFFFAOYSA-N
XLogP5.14
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-indol-1-ylacetamide?
The IUPAC name of N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-indol-1-ylacetamide (CID 22971233) is N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-indol-1-ylacetamide.
What is the SMILES notation for N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-indol-1-ylacetamide?
The canonical SMILES for N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-indol-1-ylacetamide is CCc1cnc(C(C)Sc2cnc(NC(=O)Cn3ccc4ccccc43)s2)o1.
What is the InChIKey of N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-indol-1-ylacetamide?
The InChIKey is HCXJAUFROQQFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S2/c1-3-15-10-21-19(26-15)13(2)27-18-11-22-20(28-18)23-17(25)12-24-9-8-14-6-4-5-7-16(14)24/h4-11,13H,3,12H2,1-2H3,(H,22,23,25).
What are the key properties of N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-indol-1-ylacetamide?
N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-indol-1-ylacetamide has a molecular weight of 412.54 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]-2-indol-1-ylacetamide is sourced from PubChem (CID 22971233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).