N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrimidine-2-carboxamide

C13H7N5OS2 — CID 90606206

IUPACN-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrimidine-2-carboxamide
SMILESO=C(Nc1nc2ccc3ncsc3c2s1)c1ncccn1
InChIInChI=1S/C13H7N5OS2/c19-12(11-14-4-1-5-15-11)18-13-17-8-3-2-7-9(10(8)21-13)20-6-16-7/h1-6H,(H,17,18,19)
InChIKeyVXJRYNGOWXTPCL-UHFFFAOYSA-N
MW313.37 g/mol
LogP2.95
Rot. Bonds2

About N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrimidine-2-carboxamide

N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrimidine-2-carboxamide (PubChem CID 90606206) has the molecular formula C13H7N5OS2 and a molecular weight of 313.37 g/mol. Its IUPAC name is N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrimidine-2-carboxamide
PubChem CID90606206
Molecular FormulaC13H7N5OS2
Molecular Weight313.37 g/mol
Exact Mass313.01
IUPAC NameN-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrimidine-2-carboxamide
SMILESO=C(Nc1nc2ccc3ncsc3c2s1)c1ncccn1
InChIInChI=1S/C13H7N5OS2/c19-12(11-14-4-1-5-15-11)18-13-17-8-3-2-7-9(10(8)21-13)20-6-16-7/h1-6H,(H,17,18,19)
InChIKeyVXJRYNGOWXTPCL-UHFFFAOYSA-N
XLogP2.95
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)furan-3-carboxamide
CID 90606203
N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 90606185
N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 90606188
N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-1H-imidazole-2-carboxamide
CID 90606278
1-methyl-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)imidazole-2-carboxamide
CID 90601810
N-(7-bromo-6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
CID 171486825
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 3809613
2-fluoro-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
CID 5159938
N-(5-bromo-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)cyclopropanecarboxamide
CID 176951831
2-(4-methylphenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 31156594
N-(7-nitro-1,3-benzothiazol-2-yl)benzamide
CID 13481964
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2439718

Frequently Asked Questions

What is the IUPAC name of N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrimidine-2-carboxamide?
The IUPAC name of N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrimidine-2-carboxamide (CID 90606206) is N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrimidine-2-carboxamide.
What is the SMILES notation for N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrimidine-2-carboxamide?
The canonical SMILES for N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrimidine-2-carboxamide is O=C(Nc1nc2ccc3ncsc3c2s1)c1ncccn1.
What is the InChIKey of N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrimidine-2-carboxamide?
The InChIKey is VXJRYNGOWXTPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N5OS2/c19-12(11-14-4-1-5-15-11)18-13-17-8-3-2-7-9(10(8)21-13)20-6-16-7/h1-6H,(H,17,18,19).
What are the key properties of N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrimidine-2-carboxamide?
N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrimidine-2-carboxamide has a molecular weight of 313.37 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrimidine-2-carboxamide is sourced from PubChem (CID 90606206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).