2-hydroxy-3-phenylpyrimido[2,1-b][1,3]benzothiazol-4-one

C16H10N2O2S — CID 135418971

IUPAC2-hydroxy-3-phenylpyrimido[2,1-b][1,3]benzothiazol-4-one
SMILESO=c1c(-c2ccccc2)c(O)nc2sc3ccccc3n12
InChIInChI=1S/C16H10N2O2S/c19-14-13(10-6-2-1-3-7-10)15(20)18-11-8-4-5-9-12(11)21-16(18)17-14/h1-9,19H
InChIKeyXOQCMROJRDZJEG-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.28
Rot. Bonds1

About 2-hydroxy-3-phenylpyrimido[2,1-b][1,3]benzothiazol-4-one

2-hydroxy-3-phenylpyrimido[2,1-b][1,3]benzothiazol-4-one (PubChem CID 135418971) has the molecular formula C16H10N2O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-hydroxy-3-phenylpyrimido[2,1-b][1,3]benzothiazol-4-one.

Molecular Properties

Compound Name2-hydroxy-3-phenylpyrimido[2,1-b][1,3]benzothiazol-4-one
PubChem CID135418971
Molecular FormulaC16H10N2O2S
Molecular Weight294.34 g/mol
Exact Mass294.05
IUPAC Name2-hydroxy-3-phenylpyrimido[2,1-b][1,3]benzothiazol-4-one
SMILESO=c1c(-c2ccccc2)c(O)nc2sc3ccccc3n12
InChIInChI=1S/C16H10N2O2S/c19-14-13(10-6-2-1-3-7-10)15(20)18-11-8-4-5-9-12(11)21-16(18)17-14/h1-9,19H
InChIKeyXOQCMROJRDZJEG-UHFFFAOYSA-N
XLogP3.28
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-phenyl-N-(3-phenylphenyl)anilino)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 163394880
2-methyl-1-phenylimidazo[2,1-b][1,3]benzothiazole
CID 142553581
2-chloro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 15134484
2-(3-phenyl-N-triphenylen-2-ylanilino)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 163395008
17-thia-2,7,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaen-9-one
CID 10060817
4-(1-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)phenol
CID 12831516
8-methyl-7-[4-(2,4,5-triphenylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole
CID 140947817
2-(2-methylphenyl)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 163394893
12-phenyl-13-(9-phenylcarbazol-3-yl)-14-oxa-8-thia-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),12-hexaen-16-one
CID 163394844
1,2-dimethylimidazo[2,1-b][1,3]benzothiazole
CID 70385132
methyl 7,9-dioxo-17-thia-2,4,8,10-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,11,13,15-hexaene-5-carboxylate
CID 23852161
4-(4-chlorophenyl)pyrimido[2,1-b][1,3]benzothiazol-2-one
CID 70494305

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-phenylpyrimido[2,1-b][1,3]benzothiazol-4-one?
The IUPAC name of 2-hydroxy-3-phenylpyrimido[2,1-b][1,3]benzothiazol-4-one (CID 135418971) is 2-hydroxy-3-phenylpyrimido[2,1-b][1,3]benzothiazol-4-one.
What is the SMILES notation for 2-hydroxy-3-phenylpyrimido[2,1-b][1,3]benzothiazol-4-one?
The canonical SMILES for 2-hydroxy-3-phenylpyrimido[2,1-b][1,3]benzothiazol-4-one is O=c1c(-c2ccccc2)c(O)nc2sc3ccccc3n12.
What is the InChIKey of 2-hydroxy-3-phenylpyrimido[2,1-b][1,3]benzothiazol-4-one?
The InChIKey is XOQCMROJRDZJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2S/c19-14-13(10-6-2-1-3-7-10)15(20)18-11-8-4-5-9-12(11)21-16(18)17-14/h1-9,19H.
What are the key properties of 2-hydroxy-3-phenylpyrimido[2,1-b][1,3]benzothiazol-4-one?
2-hydroxy-3-phenylpyrimido[2,1-b][1,3]benzothiazol-4-one has a molecular weight of 294.34 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-phenylpyrimido[2,1-b][1,3]benzothiazol-4-one is sourced from PubChem (CID 135418971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).