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

C19H18N2O3S — CID 66753446

IUPAC7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1cccc(C=Cc2cc(=O)n3ccsc3n2)c1OCC1CC1
InChIInChI=1S/C19H18N2O3S/c1-23-16-4-2-3-14(18(16)24-12-13-5-6-13)7-8-15-11-17(22)21-9-10-25-19(21)20-15/h2-4,7-11,13H,5-6,12H2,1H3
InChIKeyGKEMFCBBFMWMKE-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.72
Rot. Bonds6

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

7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 66753446) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID66753446
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1cccc(C=Cc2cc(=O)n3ccsc3n2)c1OCC1CC1
InChIInChI=1S/C19H18N2O3S/c1-23-16-4-2-3-14(18(16)24-12-13-5-6-13)7-8-15-11-17(22)21-9-10-25-19(21)20-15/h2-4,7-11,13H,5-6,12H2,1H3
InChIKeyGKEMFCBBFMWMKE-UHFFFAOYSA-N
XLogP3.72
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 66753446) is 7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is COc1cccc(C=Cc2cc(=O)n3ccsc3n2)c1OCC1CC1.
What is the InChIKey of 7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is GKEMFCBBFMWMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-23-16-4-2-3-14(18(16)24-12-13-5-6-13)7-8-15-11-17(22)21-9-10-25-19(21)20-15/h2-4,7-11,13H,5-6,12H2,1H3.
What are the key properties of 7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 354.43 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 66753446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).