5,7-dimethyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-4-ium

C15H15N2S+ — CID 5171195

IUPAC5,7-dimethyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
SMILESCc1ccc(-c2csc3nc(C)cc(C)[n+]23)cc1
InChIInChI=1S/C15H15N2S/c1-10-4-6-13(7-5-10)14-9-18-15-16-11(2)8-12(3)17(14)15/h4-9H,1-3H3/q+1
InChIKeyZEMHNIDZJGMEPE-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.47
Rot. Bonds1

About 5,7-dimethyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-4-ium

5,7-dimethyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-4-ium (PubChem CID 5171195) has the molecular formula C15H15N2S+ and a molecular weight of 255.37 g/mol. Its IUPAC name is 5,7-dimethyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-4-ium.

Molecular Properties

Compound Name5,7-dimethyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
PubChem CID5171195
Molecular FormulaC15H15N2S+
Molecular Weight255.37 g/mol
Exact Mass255.10
IUPAC Name5,7-dimethyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
SMILESCc1ccc(-c2csc3nc(C)cc(C)[n+]23)cc1
InChIInChI=1S/C15H15N2S/c1-10-4-6-13(7-5-10)14-9-18-15-16-11(2)8-12(3)17(14)15/h4-9H,1-3H3/q+1
InChIKeyZEMHNIDZJGMEPE-UHFFFAOYSA-N
XLogP3.47
TPSA16.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-5,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium iodide
CID 21205363
4-methyl-2-(7-methylnaphthalen-2-yl)thiophene
CID 70851584
N-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 4660258
6-methyl-4-(4-methylphenyl)-3-phenylthieno[2,3-b]pyridine
CID 141284004
4-[4-[7-[4-(4-methylphenyl)phenyl]naphthalen-2-yl]phenyl]pyridine
CID 170294286
2-methyl-4-(4-methylphenyl)thiophene
CID 59707564
5,7-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-thiolate
CID 786277
perchloric acid;2,5,7-trimethyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
CID 126959837
4-(6-methylnaphthalen-2-yl)-3H-1,3-thiazole-2-thione
CID 116966066
1-[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]-N-[[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridinyl]methyl]methanamine
CID 142756129
4-(4-methylphenyl)-3-oxido-1,3-thiazol-3-ium
CID 19706778
2,9-dimethyl-4,7-bis(4-methylphenyl)-1,10-phenanthroline
CID 71202847

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-4-ium?
The IUPAC name of 5,7-dimethyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-4-ium (CID 5171195) is 5,7-dimethyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-4-ium.
What is the SMILES notation for 5,7-dimethyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-4-ium?
The canonical SMILES for 5,7-dimethyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-4-ium is Cc1ccc(-c2csc3nc(C)cc(C)[n+]23)cc1.
What is the InChIKey of 5,7-dimethyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-4-ium?
The InChIKey is ZEMHNIDZJGMEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N2S/c1-10-4-6-13(7-5-10)14-9-18-15-16-11(2)8-12(3)17(14)15/h4-9H,1-3H3/q+1.
What are the key properties of 5,7-dimethyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-4-ium?
5,7-dimethyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-4-ium has a molecular weight of 255.37 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-4-ium is sourced from PubChem (CID 5171195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).