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

C18H25N3O2S2 — CID 22971023

IUPAC2-cyclohexyl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(C)c1cnc(CSc2cnc(NC(=O)CC3CCCCC3)s2)o1
InChIInChI=1S/C18H25N3O2S2/c1-12(2)14-9-19-16(23-14)11-24-17-10-20-18(25-17)21-15(22)8-13-6-4-3-5-7-13/h9-10,12-13H,3-8,11H2,1-2H3,(H,20,21,22)
InChIKeyWUNVWVALIATKPM-UHFFFAOYSA-N
MW379.55 g/mol
LogP5.46
Rot. Bonds7

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

2-cyclohexyl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 22971023) has the molecular formula C18H25N3O2S2 and a molecular weight of 379.55 g/mol. Its IUPAC name is 2-cyclohexyl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
PubChem CID22971023
Molecular FormulaC18H25N3O2S2
Molecular Weight379.55 g/mol
Exact Mass379.14
IUPAC Name2-cyclohexyl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(C)c1cnc(CSc2cnc(NC(=O)CC3CCCCC3)s2)o1
InChIInChI=1S/C18H25N3O2S2/c1-12(2)14-9-19-16(23-14)11-24-17-10-20-18(25-17)21-15(22)8-13-6-4-3-5-7-13/h9-10,12-13H,3-8,11H2,1-2H3,(H,20,21,22)
InChIKeyWUNVWVALIATKPM-UHFFFAOYSA-N
XLogP5.46
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.55
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide (CID 22971023) is 2-cyclohexyl-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-cyclohexyl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-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)CC3CCCCC3)s2)o1.
What is the InChIKey of 2-cyclohexyl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is WUNVWVALIATKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S2/c1-12(2)14-9-19-16(23-14)11-24-17-10-20-18(25-17)21-15(22)8-13-6-4-3-5-7-13/h9-10,12-13H,3-8,11H2,1-2H3,(H,20,21,22).
What are the key properties of 2-cyclohexyl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide?
2-cyclohexyl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 379.55 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 22971023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).