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

C20H20N4O2S2 — CID 22971033

IUPAC2-indol-1-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)Cn3ccc4ccccc43)s2)o1
InChIInChI=1S/C20H20N4O2S2/c1-13(2)16-9-21-18(26-16)12-27-19-10-22-20(28-19)23-17(25)11-24-8-7-14-5-3-4-6-15(14)24/h3-10,13H,11-12H2,1-2H3,(H,22,23,25)
InChIKeyQCQIACVDELNUJR-UHFFFAOYSA-N
MW412.54 g/mol
LogP5.14
Rot. Bonds7

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

2-indol-1-yl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 22971033) has the molecular formula C20H20N4O2S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 2-indol-1-yl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-indol-1-yl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
PubChem CID22971033
Molecular FormulaC20H20N4O2S2
Molecular Weight412.54 g/mol
Exact Mass412.10
IUPAC Name2-indol-1-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)Cn3ccc4ccccc43)s2)o1
InChIInChI=1S/C20H20N4O2S2/c1-13(2)16-9-21-18(26-16)12-27-19-10-22-20(28-19)23-17(25)11-24-8-7-14-5-3-4-6-15(14)24/h3-10,13H,11-12H2,1-2H3,(H,22,23,25)
InChIKeyQCQIACVDELNUJR-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 2-indol-1-yl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-indol-1-yl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide (CID 22971033) is 2-indol-1-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-indol-1-yl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-indol-1-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)Cn3ccc4ccccc43)s2)o1.
What is the InChIKey of 2-indol-1-yl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is QCQIACVDELNUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S2/c1-13(2)16-9-21-18(26-16)12-27-19-10-22-20(28-19)23-17(25)11-24-8-7-14-5-3-4-6-15(14)24/h3-10,13H,11-12H2,1-2H3,(H,22,23,25).
What are the key properties of 2-indol-1-yl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
2-indol-1-yl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide 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 2-indol-1-yl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 22971033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).