N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide

C21H22N6O2S3 — CID 22971426

IUPACN-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)(C)Cc1cnc(CSc2cnc(NC(=O)Cc3csc(-c4cnccn4)n3)s2)o1
InChIInChI=1S/C21H22N6O2S3/c1-21(2,3)7-14-8-24-17(29-14)12-30-18-10-25-20(32-18)27-16(28)6-13-11-31-19(26-13)15-9-22-4-5-23-15/h4-5,8-11H,6-7,12H2,1-3H3,(H,25,27,28)
InChIKeyCARYHCUHGOQEMM-UHFFFAOYSA-N
MW486.65 g/mol
LogP5.11
Rot. Bonds8

About N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide

N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 22971426) has the molecular formula C21H22N6O2S3 and a molecular weight of 486.65 g/mol. Its IUPAC name is N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID22971426
Molecular FormulaC21H22N6O2S3
Molecular Weight486.65 g/mol
Exact Mass486.10
IUPAC NameN-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)(C)Cc1cnc(CSc2cnc(NC(=O)Cc3csc(-c4cnccn4)n3)s2)o1
InChIInChI=1S/C21H22N6O2S3/c1-21(2,3)7-14-8-24-17(29-14)12-30-18-10-25-20(32-18)27-16(28)6-13-11-31-19(26-13)15-9-22-4-5-23-15/h4-5,8-11H,6-7,12H2,1-3H3,(H,25,27,28)
InChIKeyCARYHCUHGOQEMM-UHFFFAOYSA-N
XLogP5.11
TPSA106.69 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.65
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide with MolForge

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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-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide (CID 22971426) is N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide is CC(C)(C)Cc1cnc(CSc2cnc(NC(=O)Cc3csc(-c4cnccn4)n3)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-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is CARYHCUHGOQEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2S3/c1-21(2,3)7-14-8-24-17(29-14)12-30-18-10-25-20(32-18)27-16(28)6-13-11-31-19(26-13)15-9-22-4-5-23-15/h4-5,8-11H,6-7,12H2,1-3H3,(H,25,27,28).
What are the key properties of N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide?
N-[5-[[5-(2,2-dimethylpropyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 486.65 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 10 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-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 22971426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).