3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one

C11H6N6OS — CID 12956485

IUPAC3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one
SMILESO=c1c(-c2nn[nH]n2)cnc2sc3ccccc3n12
InChIInChI=1S/C11H6N6OS/c18-10-6(9-13-15-16-14-9)5-12-11-17(10)7-3-1-2-4-8(7)19-11/h1-5H,(H,13,14,15,16)
InChIKeyZJEIYGPBIUDZKQ-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.09
Rot. Bonds1

About 3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one

3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one (PubChem CID 12956485) has the molecular formula C11H6N6OS and a molecular weight of 270.28 g/mol. Its IUPAC name is 3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one.

Molecular Properties

Compound Name3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one
PubChem CID12956485
Molecular FormulaC11H6N6OS
Molecular Weight270.28 g/mol
Exact Mass270.03
IUPAC Name3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one
SMILESO=c1c(-c2nn[nH]n2)cnc2sc3ccccc3n12
InChIInChI=1S/C11H6N6OS/c18-10-6(9-13-15-16-14-9)5-12-11-17(10)7-3-1-2-4-8(7)19-11/h1-5H,(H,13,14,15,16)
InChIKeyZJEIYGPBIUDZKQ-UHFFFAOYSA-N
XLogP1.09
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-nitro-3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one
CID 13370887
3-(1H-pyrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one
CID 1482398
4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile
CID 12857966
3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
CID 11499481
9-(phenylsulfanylmethyl)-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
CID 15136146
7-bromo-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
CID 67888050
7-methylsulfanyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 21419500
N-(1,3-dioxolan-2-ylmethyl)-N-methyl-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 126471092
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
8-deuterio-3-(2H-tetrazol-5-yl)-9-(trideuteriomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 46840638
1-benzyl-3-(2H-tetrazol-5-yl)quinolin-4-one
CID 155663250
8-chloro-7-fluoro-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 21419521

Frequently Asked Questions

What is the IUPAC name of 3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one?
The IUPAC name of 3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one (CID 12956485) is 3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one.
What is the SMILES notation for 3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one?
The canonical SMILES for 3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one is O=c1c(-c2nn[nH]n2)cnc2sc3ccccc3n12.
What is the InChIKey of 3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one?
The InChIKey is ZJEIYGPBIUDZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N6OS/c18-10-6(9-13-15-16-14-9)5-12-11-17(10)7-3-1-2-4-8(7)19-11/h1-5H,(H,13,14,15,16).
What are the key properties of 3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one?
3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one has a molecular weight of 270.28 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one is sourced from PubChem (CID 12956485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).