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

C11H6N6OS — CID 12857958

IUPAC2-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one
SMILESO=c1cc(-c2nn[nH]n2)nc2sc3ccccc3n12
InChIInChI=1S/C11H6N6OS/c18-9-5-6(10-13-15-16-14-10)12-11-17(9)7-3-1-2-4-8(7)19-11/h1-5H,(H,13,14,15,16)
InChIKeyJRQFBXWFXODQNG-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.09
Rot. Bonds1

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

2-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one (PubChem CID 12857958) has the molecular formula C11H6N6OS and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one.

Molecular Properties

Compound Name2-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one
PubChem CID12857958
Molecular FormulaC11H6N6OS
Molecular Weight270.28 g/mol
Exact Mass270.03
IUPAC Name2-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one
SMILESO=c1cc(-c2nn[nH]n2)nc2sc3ccccc3n12
InChIInChI=1S/C11H6N6OS/c18-9-5-6(10-13-15-16-14-10)12-11-17(9)7-3-1-2-4-8(7)19-11/h1-5H,(H,13,14,15,16)
InChIKeyJRQFBXWFXODQNG-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

3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one
CID 12956485
3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-imine
CID 12956490
4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-2-carboxamide
CID 12857950
Potassium 3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one
CID 12956492
5-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-one
CID 68127801
CID 70487542
CID 70487542
3-(2H-tetrazol-5-yl)-4H-pyrimido[2,1-b][1,3]benzothiazole
CID 151233592
potassium;hydride;3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one
CID 173419981
3-(2-Tert-butyltetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one
CID 15090433
potassium 3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one
CID 20433052
2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrimido[2,1-b][1,3]benzothiazol-4-one
CID 24685503

Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one?
The IUPAC name of 2-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one (CID 12857958) is 2-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one.
What is the SMILES notation for 2-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one?
The canonical SMILES for 2-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one is O=c1cc(-c2nn[nH]n2)nc2sc3ccccc3n12.
What is the InChIKey of 2-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one?
The InChIKey is JRQFBXWFXODQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N6OS/c18-9-5-6(10-13-15-16-14-10)12-11-17(9)7-3-1-2-4-8(7)19-11/h1-5H,(H,13,14,15,16).
What are the key properties of 2-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one?
2-(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 2-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one is sourced from PubChem (CID 12857958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).