4-ethyl-2-[(2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one

C14H20N4O2S2 — CID 146091535

IUPAC4-ethyl-2-[(2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(SCC2CN=C(N3CCOCC3)S2)n1
InChIInChI=1S/C14H20N4O2S2/c1-2-10-7-12(19)17-13(16-10)21-9-11-8-15-14(22-11)18-3-5-20-6-4-18/h7,11H,2-6,8-9H2,1H3,(H,16,17,19)
InChIKeyQYBCGEOHBFQODU-UHFFFAOYSA-N
MW340.47 g/mol
LogP1.23
Rot. Bonds4

About 4-ethyl-2-[(2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one

4-ethyl-2-[(2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one (PubChem CID 146091535) has the molecular formula C14H20N4O2S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-ethyl-2-[(2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[(2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one
PubChem CID146091535
Molecular FormulaC14H20N4O2S2
Molecular Weight340.47 g/mol
Exact Mass340.10
IUPAC Name4-ethyl-2-[(2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(SCC2CN=C(N3CCOCC3)S2)n1
InChIInChI=1S/C14H20N4O2S2/c1-2-10-7-12(19)17-13(16-10)21-9-11-8-15-14(22-11)18-3-5-20-6-4-18/h7,11H,2-6,8-9H2,1H3,(H,16,17,19)
InChIKeyQYBCGEOHBFQODU-UHFFFAOYSA-N
XLogP1.23
TPSA70.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[(2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one (CID 146091535) is 4-ethyl-2-[(2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[(2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[(2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(SCC2CN=C(N3CCOCC3)S2)n1.
What is the InChIKey of 4-ethyl-2-[(2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The InChIKey is QYBCGEOHBFQODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S2/c1-2-10-7-12(19)17-13(16-10)21-9-11-8-15-14(22-11)18-3-5-20-6-4-18/h7,11H,2-6,8-9H2,1H3,(H,16,17,19).
What are the key properties of 4-ethyl-2-[(2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one?
4-ethyl-2-[(2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one has a molecular weight of 340.47 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 146091535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).