2-(2,3-dihydro-1H-inden-2-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide

C21H23N3O2S2 — CID 22971030

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(C)c1cnc(CSc2cnc(NC(=O)CC3Cc4ccccc4C3)s2)o1
InChIInChI=1S/C21H23N3O2S2/c1-13(2)17-10-22-19(26-17)12-27-20-11-23-21(28-20)24-18(25)9-14-7-15-5-3-4-6-16(15)8-14/h3-6,10-11,13-14H,7-9,12H2,1-2H3,(H,23,24,25)
InChIKeyASGPZFSEDGDFAN-UHFFFAOYSA-N
MW413.57 g/mol
LogP5.29
Rot. Bonds7

About 2-(2,3-dihydro-1H-inden-2-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide

2-(2,3-dihydro-1H-inden-2-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 22971030) has the molecular formula C21H23N3O2S2 and a molecular weight of 413.57 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
PubChem CID22971030
Molecular FormulaC21H23N3O2S2
Molecular Weight413.57 g/mol
Exact Mass413.12
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(C)c1cnc(CSc2cnc(NC(=O)CC3Cc4ccccc4C3)s2)o1
InChIInChI=1S/C21H23N3O2S2/c1-13(2)17-10-22-19(26-17)12-27-20-11-23-21(28-20)24-18(25)9-14-7-15-5-3-4-6-16(15)8-14/h3-6,10-11,13-14H,7-9,12H2,1-2H3,(H,23,24,25)
InChIKeyASGPZFSEDGDFAN-UHFFFAOYSA-N
XLogP5.29
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.57
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2,3-dihydro-1H-inden-2-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide (CID 22971030) is 2-(2,3-dihydro-1H-inden-2-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide is CC(C)c1cnc(CSc2cnc(NC(=O)CC3Cc4ccccc4C3)s2)o1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ASGPZFSEDGDFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S2/c1-13(2)17-10-22-19(26-17)12-27-20-11-23-21(28-20)24-18(25)9-14-7-15-5-3-4-6-16(15)8-14/h3-6,10-11,13-14H,7-9,12H2,1-2H3,(H,23,24,25).
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
2-(2,3-dihydro-1H-inden-2-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 413.57 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-yl)-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 22971030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).