N-cyclohexyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide

C15H19N3O2S2 — CID 51168900

IUPACN-cyclohexyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
SMILESO=C(CSCc1cc(=O)n2ccsc2n1)NC1CCCCC1
InChIInChI=1S/C15H19N3O2S2/c19-13(16-11-4-2-1-3-5-11)10-21-9-12-8-14(20)18-6-7-22-15(18)17-12/h6-8,11H,1-5,9-10H2,(H,16,19)
InChIKeyVUKJTWROJYYUQZ-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.44
Rot. Bonds5

About N-cyclohexyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide

N-cyclohexyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide (PubChem CID 51168900) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-cyclohexyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
PubChem CID51168900
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC NameN-cyclohexyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
SMILESO=C(CSCc1cc(=O)n2ccsc2n1)NC1CCCCC1
InChIInChI=1S/C15H19N3O2S2/c19-13(16-11-4-2-1-3-5-11)10-21-9-12-8-14(20)18-6-7-22-15(18)17-12/h6-8,11H,1-5,9-10H2,(H,16,19)
InChIKeyVUKJTWROJYYUQZ-UHFFFAOYSA-N
XLogP2.44
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide (CID 51168900) is N-cyclohexyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide is O=C(CSCc1cc(=O)n2ccsc2n1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
The InChIKey is VUKJTWROJYYUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c19-13(16-11-4-2-1-3-5-11)10-21-9-12-8-14(20)18-6-7-22-15(18)17-12/h6-8,11H,1-5,9-10H2,(H,16,19).
What are the key properties of N-cyclohexyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide?
N-cyclohexyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide has a molecular weight of 337.47 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 51168900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).