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

C18H25N3O2S2 — CID 22971021

IUPAC2-cyclohexyl-N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCCc1cnc(C(C)Sc2cnc(NC(=O)CC3CCCCC3)s2)o1
InChIInChI=1S/C18H25N3O2S2/c1-3-14-10-19-17(23-14)12(2)24-16-11-20-18(25-16)21-15(22)9-13-7-5-4-6-8-13/h10-13H,3-9H2,1-2H3,(H,20,21,22)
InChIKeyHDAOOFGXJXRFHU-UHFFFAOYSA-N
MW379.55 g/mol
LogP5.46
Rot. Bonds7

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

2-cyclohexyl-N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 22971021) has the molecular formula C18H25N3O2S2 and a molecular weight of 379.55 g/mol. Its IUPAC name is 2-cyclohexyl-N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]acetamide
PubChem CID22971021
Molecular FormulaC18H25N3O2S2
Molecular Weight379.55 g/mol
Exact Mass379.14
IUPAC Name2-cyclohexyl-N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]acetamide
SMILESCCc1cnc(C(C)Sc2cnc(NC(=O)CC3CCCCC3)s2)o1
InChIInChI=1S/C18H25N3O2S2/c1-3-14-10-19-17(23-14)12(2)24-16-11-20-18(25-16)21-15(22)9-13-7-5-4-6-8-13/h10-13H,3-9H2,1-2H3,(H,20,21,22)
InChIKeyHDAOOFGXJXRFHU-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-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]acetamide (CID 22971021) is 2-cyclohexyl-N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]acetamide is CCc1cnc(C(C)Sc2cnc(NC(=O)CC3CCCCC3)s2)o1.
What is the InChIKey of 2-cyclohexyl-N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is HDAOOFGXJXRFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S2/c1-3-14-10-19-17(23-14)12(2)24-16-11-20-18(25-16)21-15(22)9-13-7-5-4-6-8-13/h10-13H,3-9H2,1-2H3,(H,20,21,22).
What are the key properties of 2-cyclohexyl-N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]acetamide?
2-cyclohexyl-N-[5-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-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-[1-(5-ethyl-1,3-oxazol-2-yl)ethylsulfanyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 22971021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).