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

C16H10N2OS — CID 10084936

IUPAC4-phenylpyrimido[2,1-b][1,3]benzothiazol-2-one
SMILESO=c1cc(-c2ccccc2)n2c(n1)sc1ccccc12
InChIInChI=1S/C16H10N2OS/c19-15-10-13(11-6-2-1-3-7-11)18-12-8-4-5-9-14(12)20-16(18)17-15/h1-10H
InChIKeyVRTFHAOXCUFUFL-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.58
Rot. Bonds1

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

4-phenylpyrimido[2,1-b][1,3]benzothiazol-2-one (PubChem CID 10084936) has the molecular formula C16H10N2OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 4-phenylpyrimido[2,1-b][1,3]benzothiazol-2-one.

Molecular Properties

Compound Name4-phenylpyrimido[2,1-b][1,3]benzothiazol-2-one
PubChem CID10084936
Molecular FormulaC16H10N2OS
Molecular Weight278.34 g/mol
Exact Mass278.05
IUPAC Name4-phenylpyrimido[2,1-b][1,3]benzothiazol-2-one
SMILESO=c1cc(-c2ccccc2)n2c(n1)sc1ccccc12
InChIInChI=1S/C16H10N2OS/c19-15-10-13(11-6-2-1-3-7-11)18-12-8-4-5-9-14(12)20-16(18)17-15/h1-10H
InChIKeyVRTFHAOXCUFUFL-UHFFFAOYSA-N
XLogP3.58
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-3-phenyl-2H-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4(3H)-dione
CID 754910
12H-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 230754
8-methyl-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
CID 714693
N-(3-phenyl-1,3-benzothiazol-2-ylidene)-2-propenamide
CID 830668
(E)-N-(3,6-dimethylbenzo[d]thiazol-2(3H)-ylidene)acetamide
CID 2312317
5-[4-(Methylsulfanyl)benzylidene]-3-phenyl-2-(phenylimino)-1,3-thiazolidin-4-one
CID 5287092
1-[4-(4-fluorophenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]ethanone
CID 122190919
1-[4-(4-fluorophenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]propan-1-one
CID 122190929
4-Hydroxy-3-methylpyrimido[2,1-b][1,3]benzothiazol-2-one
CID 135473079
(S)-2-Phenyl-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidine
CID 24827682
(5Z)-3-butyl-2-(2,5-dimethylphenyl)imino-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one
CID 3093919
2-Chloromethyl-9-thia-1,4a-diaza-fluoren-4-one
CID 2111478

Frequently Asked Questions

What is the IUPAC name of 4-phenylpyrimido[2,1-b][1,3]benzothiazol-2-one?
The IUPAC name of 4-phenylpyrimido[2,1-b][1,3]benzothiazol-2-one (CID 10084936) is 4-phenylpyrimido[2,1-b][1,3]benzothiazol-2-one.
What is the SMILES notation for 4-phenylpyrimido[2,1-b][1,3]benzothiazol-2-one?
The canonical SMILES for 4-phenylpyrimido[2,1-b][1,3]benzothiazol-2-one is O=c1cc(-c2ccccc2)n2c(n1)sc1ccccc12.
What is the InChIKey of 4-phenylpyrimido[2,1-b][1,3]benzothiazol-2-one?
The InChIKey is VRTFHAOXCUFUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2OS/c19-15-10-13(11-6-2-1-3-7-11)18-12-8-4-5-9-14(12)20-16(18)17-15/h1-10H.
What are the key properties of 4-phenylpyrimido[2,1-b][1,3]benzothiazol-2-one?
4-phenylpyrimido[2,1-b][1,3]benzothiazol-2-one has a molecular weight of 278.34 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylpyrimido[2,1-b][1,3]benzothiazol-2-one is sourced from PubChem (CID 10084936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).