7-[2-[2-(cyclopropylmethoxy)-3-ethylphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C20H20N2O2S — CID 67491458

IUPAC7-[2-[2-(cyclopropylmethoxy)-3-ethylphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1cccc(C=Cc2cc(=O)n3ccsc3n2)c1OCC1CC1
InChIInChI=1S/C20H20N2O2S/c1-2-15-4-3-5-16(19(15)24-13-14-6-7-14)8-9-17-12-18(23)22-10-11-25-20(22)21-17/h3-5,8-12,14H,2,6-7,13H2,1H3
InChIKeyAHIFMXGMBJJQFA-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.28
Rot. Bonds6

About 7-[2-[2-(cyclopropylmethoxy)-3-ethylphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[2-[2-(cyclopropylmethoxy)-3-ethylphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 67491458) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 7-[2-[2-(cyclopropylmethoxy)-3-ethylphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[2-[2-(cyclopropylmethoxy)-3-ethylphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID67491458
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name7-[2-[2-(cyclopropylmethoxy)-3-ethylphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1cccc(C=Cc2cc(=O)n3ccsc3n2)c1OCC1CC1
InChIInChI=1S/C20H20N2O2S/c1-2-15-4-3-5-16(19(15)24-13-14-6-7-14)8-9-17-12-18(23)22-10-11-25-20(22)21-17/h3-5,8-12,14H,2,6-7,13H2,1H3
InChIKeyAHIFMXGMBJJQFA-UHFFFAOYSA-N
XLogP4.28
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[2-(cyclopropylmethoxy)-3-ethylphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[2-[2-(cyclopropylmethoxy)-3-ethylphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 67491458) is 7-[2-[2-(cyclopropylmethoxy)-3-ethylphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[2-[2-(cyclopropylmethoxy)-3-ethylphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[2-[2-(cyclopropylmethoxy)-3-ethylphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCc1cccc(C=Cc2cc(=O)n3ccsc3n2)c1OCC1CC1.
What is the InChIKey of 7-[2-[2-(cyclopropylmethoxy)-3-ethylphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is AHIFMXGMBJJQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-2-15-4-3-5-16(19(15)24-13-14-6-7-14)8-9-17-12-18(23)22-10-11-25-20(22)21-17/h3-5,8-12,14H,2,6-7,13H2,1H3.
What are the key properties of 7-[2-[2-(cyclopropylmethoxy)-3-ethylphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[2-[2-(cyclopropylmethoxy)-3-ethylphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 352.46 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[2-(cyclopropylmethoxy)-3-ethylphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 67491458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).