8-hydroxy-7-[(2-hydroxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

C14H14N2O3S — CID 135515094

IUPAC8-hydroxy-7-[(2-hydroxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESO=c1c(Cc2ccccc2O)c(O)nc2n1CCCS2
InChIInChI=1S/C14H14N2O3S/c17-11-5-2-1-4-9(11)8-10-12(18)15-14-16(13(10)19)6-3-7-20-14/h1-2,4-5,17-18H,3,6-8H2
InChIKeyJWHURUMENGNVQC-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.74
Rot. Bonds2

About 8-hydroxy-7-[(2-hydroxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

8-hydroxy-7-[(2-hydroxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 135515094) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 8-hydroxy-7-[(2-hydroxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name8-hydroxy-7-[(2-hydroxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID135515094
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name8-hydroxy-7-[(2-hydroxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESO=c1c(Cc2ccccc2O)c(O)nc2n1CCCS2
InChIInChI=1S/C14H14N2O3S/c17-11-5-2-1-4-9(11)8-10-12(18)15-14-16(13(10)19)6-3-7-20-14/h1-2,4-5,17-18H,3,6-8H2
InChIKeyJWHURUMENGNVQC-UHFFFAOYSA-N
XLogP1.74
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-7-[(2-hydroxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 8-hydroxy-7-[(2-hydroxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 135515094) is 8-hydroxy-7-[(2-hydroxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 8-hydroxy-7-[(2-hydroxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 8-hydroxy-7-[(2-hydroxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is O=c1c(Cc2ccccc2O)c(O)nc2n1CCCS2.
What is the InChIKey of 8-hydroxy-7-[(2-hydroxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is JWHURUMENGNVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c17-11-5-2-1-4-9(11)8-10-12(18)15-14-16(13(10)19)6-3-7-20-14/h1-2,4-5,17-18H,3,6-8H2.
What are the key properties of 8-hydroxy-7-[(2-hydroxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
8-hydroxy-7-[(2-hydroxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 290.34 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-7-[(2-hydroxyphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 135515094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).