7-methyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide

C13H9N7O2S — CID 21419531

IUPAC7-methyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
SMILESCc1ccc2sc3ncc(C(=O)Nc4nn[nH]n4)c(=O)n3c2c1
InChIInChI=1S/C13H9N7O2S/c1-6-2-3-9-8(4-6)20-11(22)7(5-14-13(20)23-9)10(21)15-12-16-18-19-17-12/h2-5H,1H3,(H2,15,16,17,18,19,21)
InChIKeyMGIUZVGOANZSNZ-UHFFFAOYSA-N
MW327.33 g/mol
LogP0.98
Rot. Bonds2

About 7-methyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide

7-methyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide (PubChem CID 21419531) has the molecular formula C13H9N7O2S and a molecular weight of 327.33 g/mol. Its IUPAC name is 7-methyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide.

Molecular Properties

Compound Name7-methyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
PubChem CID21419531
Molecular FormulaC13H9N7O2S
Molecular Weight327.33 g/mol
Exact Mass327.05
IUPAC Name7-methyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
SMILESCc1ccc2sc3ncc(C(=O)Nc4nn[nH]n4)c(=O)n3c2c1
InChIInChI=1S/C13H9N7O2S/c1-6-2-3-9-8(4-6)20-11(22)7(5-14-13(20)23-9)10(21)15-12-16-18-19-17-12/h2-5H,1H3,(H2,15,16,17,18,19,21)
InChIKeyMGIUZVGOANZSNZ-UHFFFAOYSA-N
XLogP0.98
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The IUPAC name of 7-methyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide (CID 21419531) is 7-methyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide.
What is the SMILES notation for 7-methyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The canonical SMILES for 7-methyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is Cc1ccc2sc3ncc(C(=O)Nc4nn[nH]n4)c(=O)n3c2c1.
What is the InChIKey of 7-methyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The InChIKey is MGIUZVGOANZSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N7O2S/c1-6-2-3-9-8(4-6)20-11(22)7(5-14-13(20)23-9)10(21)15-12-16-18-19-17-12/h2-5H,1H3,(H2,15,16,17,18,19,21).
What are the key properties of 7-methyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
7-methyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide has a molecular weight of 327.33 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is sourced from PubChem (CID 21419531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).