CID 70487542

C11H6KN6OS — CID 70487542

IUPAC—
SMILESO=c1c(-c2nn[nH]n2)cnc2sc3ccccc3n12.[K]
InChIInChI=1S/C11H6N6OS.K/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);
InChIKeyQTSWYLRMMZALAD-UHFFFAOYSA-N
MW309.38 g/mol
LogP0.71
Rot. Bonds1

About CID 70487542

CID 70487542 (PubChem CID 70487542) has the molecular formula C11H6KN6OS and a molecular weight of 309.38 g/mol.

Molecular Properties

Compound NameCID 70487542
PubChem CID70487542
Molecular FormulaC11H6KN6OS
Molecular Weight309.38 g/mol
Exact Mass309.00
IUPAC Name—
SMILESO=c1c(-c2nn[nH]n2)cnc2sc3ccccc3n12.[K]
InChIInChI=1S/C11H6N6OS.K/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);
InChIKeyQTSWYLRMMZALAD-UHFFFAOYSA-N
XLogP0.71
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 50.71
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 CID 70487542?
The IUPAC name of CID 70487542 (CID 70487542) is not available.
What is the SMILES notation for CID 70487542?
The canonical SMILES for CID 70487542 is O=c1c(-c2nn[nH]n2)cnc2sc3ccccc3n12.[K].
What is the InChIKey of CID 70487542?
The InChIKey is QTSWYLRMMZALAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N6OS.K/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 CID 70487542?
CID 70487542 has a molecular weight of 309.38 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70487542 is sourced from PubChem (CID 70487542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).