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

C22H24N4O2S2 — CID 22971034

IUPACN-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-indol-1-ylacetamide
SMILESCC(C)(C)Cc1cnc(CSc2cnc(NC(=O)Cn3ccc4ccccc43)s2)o1
InChIInChI=1S/C22H24N4O2S2/c1-22(2,3)10-16-11-23-19(28-16)14-29-20-12-24-21(30-20)25-18(27)13-26-9-8-15-6-4-5-7-17(15)26/h4-9,11-12H,10,13-14H2,1-3H3,(H,24,25,27)
InChIKeyOGRPAOHCIIGHBT-UHFFFAOYSA-N
MW440.59 g/mol
LogP5.61
Rot. Bonds7

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

N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-indol-1-ylacetamide (PubChem CID 22971034) has the molecular formula C22H24N4O2S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-indol-1-ylacetamide
PubChem CID22971034
Molecular FormulaC22H24N4O2S2
Molecular Weight440.59 g/mol
Exact Mass440.13
IUPAC NameN-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-indol-1-ylacetamide
SMILESCC(C)(C)Cc1cnc(CSc2cnc(NC(=O)Cn3ccc4ccccc43)s2)o1
InChIInChI=1S/C22H24N4O2S2/c1-22(2,3)10-16-11-23-19(28-16)14-29-20-12-24-21(30-20)25-18(27)13-26-9-8-15-6-4-5-7-17(15)26/h4-9,11-12H,10,13-14H2,1-3H3,(H,24,25,27)
InChIKeyOGRPAOHCIIGHBT-UHFFFAOYSA-N
XLogP5.61
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-indol-1-ylacetamide?
The IUPAC name of N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-indol-1-ylacetamide (CID 22971034) is N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-indol-1-ylacetamide.
What is the SMILES notation for N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-indol-1-ylacetamide?
The canonical SMILES for N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-indol-1-ylacetamide is CC(C)(C)Cc1cnc(CSc2cnc(NC(=O)Cn3ccc4ccccc43)s2)o1.
What is the InChIKey of N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-indol-1-ylacetamide?
The InChIKey is OGRPAOHCIIGHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S2/c1-22(2,3)10-16-11-23-19(28-16)14-29-20-12-24-21(30-20)25-18(27)13-26-9-8-15-6-4-5-7-17(15)26/h4-9,11-12H,10,13-14H2,1-3H3,(H,24,25,27).
What are the key properties of N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-indol-1-ylacetamide?
N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-indol-1-ylacetamide has a molecular weight of 440.59 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-indol-1-ylacetamide is sourced from PubChem (CID 22971034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).