sodium 2-imino-5-methyl-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-4-id-7-one

C12H9N4NaOS — CID 24846822

IUPACsodium 2-imino-5-methyl-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-4-id-7-one
SMILES[H]/N=c1\sc2c(=O)nc(C)[n-]c2n1-c1ccccc1.[Na+]
InChIInChI=1S/C12H10N4OS.Na/c1-7-14-10-9(11(17)15-7)18-12(13)16(10)8-5-3-2-4-6-8;/h2-6,13H,1H3,(H,14,15,17);/q;+1/p-1/b13-12-;
InChIKeyKNHXWQXATVYMHE-USGGBSEESA-M
MW280.29 g/mol
LogP-1.80
Rot. Bonds1

About sodium 2-imino-5-methyl-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-4-id-7-one

sodium 2-imino-5-methyl-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-4-id-7-one (PubChem CID 24846822) has the molecular formula C12H9N4NaOS and a molecular weight of 280.29 g/mol. Its IUPAC name is sodium 2-imino-5-methyl-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-4-id-7-one.

Molecular Properties

Compound Namesodium 2-imino-5-methyl-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-4-id-7-one
PubChem CID24846822
Molecular FormulaC12H9N4NaOS
Molecular Weight280.29 g/mol
Exact Mass280.04
IUPAC Namesodium 2-imino-5-methyl-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-4-id-7-one
SMILES[H]/N=c1\sc2c(=O)nc(C)[n-]c2n1-c1ccccc1.[Na+]
InChIInChI=1S/C12H10N4OS.Na/c1-7-14-10-9(11(17)15-7)18-12(13)16(10)8-5-3-2-4-6-8;/h2-6,13H,1H3,(H,14,15,17);/q;+1/p-1/b13-12-;
InChIKeyKNHXWQXATVYMHE-USGGBSEESA-M
XLogP-1.80
TPSA72.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 5-1.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-phenyl-1,3-thiazol-2-imine;hydrochloride
CID 13405872
2,5-dichloro-6-methyl-3-phenylpyrimidin-4-one
CID 154123785
3,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
CID 4658310
2,6-dimethyl-3-phenylpyrimidin-4-one
CID 608225
5-methyl-2-oxo-3-phenyl-1,3-thiazol-4-olate
CID 20614837
6-methyl-2-(methylamino)-1-phenylpyrimidin-4-one
CID 19754156
4-imino-2,3-dimethyl-6-phenylthieno[2,3-b]pyrrol-5-one
CID 22333377
2-chloro-6-methyl-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 134105611
7-methyl-3-phenylthiochromeno[2,3-d]pyrimidine-2,4-dione
CID 12886733
2-methylquinazolin-3-id-4-one;yttrium
CID 59938499
2-ethyl-6-methyl-1,5-diphenylpyrimidin-4-one
CID 776578
2-benzyl-6-methyl-3-phenylpyrimidin-4-one
CID 13280786

Frequently Asked Questions

What is the IUPAC name of sodium 2-imino-5-methyl-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-4-id-7-one?
The IUPAC name of sodium 2-imino-5-methyl-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-4-id-7-one (CID 24846822) is sodium 2-imino-5-methyl-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-4-id-7-one.
What is the SMILES notation for sodium 2-imino-5-methyl-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-4-id-7-one?
The canonical SMILES for sodium 2-imino-5-methyl-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-4-id-7-one is [H]/N=c1\sc2c(=O)nc(C)[n-]c2n1-c1ccccc1.[Na+].
What is the InChIKey of sodium 2-imino-5-methyl-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-4-id-7-one?
The InChIKey is KNHXWQXATVYMHE-USGGBSEESA-M. The full InChI is InChI=1S/C12H10N4OS.Na/c1-7-14-10-9(11(17)15-7)18-12(13)16(10)8-5-3-2-4-6-8;/h2-6,13H,1H3,(H,14,15,17);/q;+1/p-1/b13-12-;.
What are the key properties of sodium 2-imino-5-methyl-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-4-id-7-one?
sodium 2-imino-5-methyl-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-4-id-7-one has a molecular weight of 280.29 g/mol, XLogP of -1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-imino-5-methyl-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-4-id-7-one is sourced from PubChem (CID 24846822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).