3-(piperidine-1-carbonyl)pyrimido[2,1-b][1,3]benzothiazol-4-one

C16H15N3O2S — CID 126470143

IUPAC3-(piperidine-1-carbonyl)pyrimido[2,1-b][1,3]benzothiazol-4-one
SMILESO=C(c1cnc2sc3ccccc3n2c1=O)N1CCCCC1
InChIInChI=1S/C16H15N3O2S/c20-14(18-8-4-1-5-9-18)11-10-17-16-19(15(11)21)12-6-2-3-7-13(12)22-16/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyZJFIMZLPDWPHMG-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.54
Rot. Bonds1

About 3-(piperidine-1-carbonyl)pyrimido[2,1-b][1,3]benzothiazol-4-one

3-(piperidine-1-carbonyl)pyrimido[2,1-b][1,3]benzothiazol-4-one (PubChem CID 126470143) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-(piperidine-1-carbonyl)pyrimido[2,1-b][1,3]benzothiazol-4-one.

Molecular Properties

Compound Name3-(piperidine-1-carbonyl)pyrimido[2,1-b][1,3]benzothiazol-4-one
PubChem CID126470143
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name3-(piperidine-1-carbonyl)pyrimido[2,1-b][1,3]benzothiazol-4-one
SMILESO=C(c1cnc2sc3ccccc3n2c1=O)N1CCCCC1
InChIInChI=1S/C16H15N3O2S/c20-14(18-8-4-1-5-9-18)11-10-17-16-19(15(11)21)12-6-2-3-7-13(12)22-16/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyZJFIMZLPDWPHMG-UHFFFAOYSA-N
XLogP2.54
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-(4-phenylpiperazine-1-carbonyl)-5H-thiazolo[3,2-a]pyrimidin-5-one
CID 7177780
N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 3242753
N-cyclohexyl-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3245630
N-butyl-5-oxo-N-phenyl-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4688002
5-oxo-N-phenyl-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5069368
2-methyl-N-(2-(methylthio)phenyl)-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 7266705
6-(4-(2-fluorophenyl)piperazine-1-carbonyl)-2-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one
CID 7177783
4-Hydroxy-3-methylpyrimido[2,1-b][1,3]benzothiazol-2-one
CID 135473079
2-(4-Methylpiperazin-1-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 71577082
2-(4-Ethylpiperazin-1-yl)-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 71577083
2-[4-(2-Hydroxyethyl)piperazin-1-yl]-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 71577084
2-[2-(Dimethylamino)ethylamino]-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 71577085

Frequently Asked Questions

What is the IUPAC name of 3-(piperidine-1-carbonyl)pyrimido[2,1-b][1,3]benzothiazol-4-one?
The IUPAC name of 3-(piperidine-1-carbonyl)pyrimido[2,1-b][1,3]benzothiazol-4-one (CID 126470143) is 3-(piperidine-1-carbonyl)pyrimido[2,1-b][1,3]benzothiazol-4-one.
What is the SMILES notation for 3-(piperidine-1-carbonyl)pyrimido[2,1-b][1,3]benzothiazol-4-one?
The canonical SMILES for 3-(piperidine-1-carbonyl)pyrimido[2,1-b][1,3]benzothiazol-4-one is O=C(c1cnc2sc3ccccc3n2c1=O)N1CCCCC1.
What is the InChIKey of 3-(piperidine-1-carbonyl)pyrimido[2,1-b][1,3]benzothiazol-4-one?
The InChIKey is ZJFIMZLPDWPHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-14(18-8-4-1-5-9-18)11-10-17-16-19(15(11)21)12-6-2-3-7-13(12)22-16/h2-3,6-7,10H,1,4-5,8-9H2.
What are the key properties of 3-(piperidine-1-carbonyl)pyrimido[2,1-b][1,3]benzothiazol-4-one?
3-(piperidine-1-carbonyl)pyrimido[2,1-b][1,3]benzothiazol-4-one has a molecular weight of 313.38 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidine-1-carbonyl)pyrimido[2,1-b][1,3]benzothiazol-4-one is sourced from PubChem (CID 126470143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).