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

C11H7KN6OS — CID 173419981

IUPACpotassium;hydride;3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one
SMILESO=c1c(-c2nn[nH]n2)cnc2sc3ccccc3n12.[H-].[K+]
InChIInChI=1S/C11H6N6OS.K.H/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);;/q;+1;-1
InChIKeyFHCUFTDVDZATJN-UHFFFAOYSA-N
MW310.38 g/mol
LogP-1.79
Rot. Bonds1

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

potassium;hydride;3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one (PubChem CID 173419981) has the molecular formula C11H7KN6OS and a molecular weight of 310.38 g/mol. Its IUPAC name is potassium;hydride;3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one.

Molecular Properties

Compound Namepotassium;hydride;3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one
PubChem CID173419981
Molecular FormulaC11H7KN6OS
Molecular Weight310.38 g/mol
Exact Mass310.00
IUPAC Namepotassium;hydride;3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one
SMILESO=c1c(-c2nn[nH]n2)cnc2sc3ccccc3n12.[H-].[K+]
InChIInChI=1S/C11H6N6OS.K.H/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);;/q;+1;-1
InChIKeyFHCUFTDVDZATJN-UHFFFAOYSA-N
XLogP-1.79
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 5-1.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-Tetrazolyl)-4-oxo-4H-pyrimido[2,1-b]benzothiazole-3-carboxamide
CID 12857961
3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one
CID 12956485
7,8-dimethyl-3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one
CID 12956487
7,9-dimethyl-3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one
CID 12956488
3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-imine
CID 12956490
8-Chloro-3-(1H-tetrazol-5-yl)-4H-pyrimido(2,1-b)(1,3)benzothiazol-4-one
CID 340008
2-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one
CID 12857958
7-chloro-3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one
CID 12956486
Potassium 3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one
CID 12956492
N-(5-tetrazolyl)-7,8-difluoro-4-oxo-4H-pyrimido[2,1-b]benzothiazole-3-carboxamide
CID 21419501
7-fluoro-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 21419507
N-(5-tetrazolyl)-8-fluoro-4-oxo-4H-pyrimido[2,1-b]benzothiazole-3-carboxamide
CID 21419540

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one?
The IUPAC name of potassium;hydride;3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one (CID 173419981) is potassium;hydride;3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one.
What is the SMILES notation for potassium;hydride;3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one?
The canonical SMILES for potassium;hydride;3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one is O=c1c(-c2nn[nH]n2)cnc2sc3ccccc3n12.[H-].[K+].
What is the InChIKey of potassium;hydride;3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one?
The InChIKey is FHCUFTDVDZATJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N6OS.K.H/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);;/q;+1;-1.
What are the key properties of potassium;hydride;3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one?
potassium;hydride;3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one has a molecular weight of 310.38 g/mol, XLogP of -1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one is sourced from PubChem (CID 173419981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).