3-(4-methoxyphenyl)-5-methyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one bromide

C14H12BrN2O2S- — CID 21177480

IUPAC3-(4-methoxyphenyl)-5-methyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one bromide
SMILESCOc1ccc(-c2csc3nc(=O)cc(C)n23)cc1.[Br-]
InChIInChI=1S/C14H12N2O2S.BrH/c1-9-7-13(17)15-14-16(9)12(8-19-14)10-3-5-11(18-2)6-4-10;/h3-8H,1-2H3;1H/p-1
InChIKeyLDCQRALUKAWTRI-UHFFFAOYSA-M
MW352.23 g/mol
LogP-0.26
Rot. Bonds2

About 3-(4-methoxyphenyl)-5-methyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one bromide

3-(4-methoxyphenyl)-5-methyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one bromide (PubChem CID 21177480) has the molecular formula C14H12BrN2O2S- and a molecular weight of 352.23 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-methyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one bromide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-methyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one bromide
PubChem CID21177480
Molecular FormulaC14H12BrN2O2S-
Molecular Weight352.23 g/mol
Exact Mass350.98
IUPAC Name3-(4-methoxyphenyl)-5-methyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one bromide
SMILESCOc1ccc(-c2csc3nc(=O)cc(C)n23)cc1.[Br-]
InChIInChI=1S/C14H12N2O2S.BrH/c1-9-7-13(17)15-14-16(9)12(8-19-14)10-3-5-11(18-2)6-4-10;/h3-8H,1-2H3;1H/p-1
InChIKeyLDCQRALUKAWTRI-UHFFFAOYSA-M
XLogP-0.26
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 10935707
methyl 3-(3,4-dimethoxyphenyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
CID 54109387
6-(4-methoxyphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole
CID 113225125
6-(furan-2-yl)-3-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 93216185
5-chloro-13-(4-methoxyphenyl)-6-methyl-15-thia-8,12,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1,3,5,7,9,13,16-heptaen-11-one
CID 23764726
N-(4-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248607
12-(4-methoxyphenyl)-14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene
CID 10065351
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108811523
propyl 7-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
CID 54545406
6-(2,5-dimethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198905
4-methoxy-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 108780595
7-[[4-(4-methoxyphenoxy)piperidin-1-yl]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47056619

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-methyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one bromide?
The IUPAC name of 3-(4-methoxyphenyl)-5-methyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one bromide (CID 21177480) is 3-(4-methoxyphenyl)-5-methyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one bromide.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-methyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one bromide?
The canonical SMILES for 3-(4-methoxyphenyl)-5-methyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one bromide is COc1ccc(-c2csc3nc(=O)cc(C)n23)cc1.[Br-].
What is the InChIKey of 3-(4-methoxyphenyl)-5-methyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one bromide?
The InChIKey is LDCQRALUKAWTRI-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12N2O2S.BrH/c1-9-7-13(17)15-14-16(9)12(8-19-14)10-3-5-11(18-2)6-4-10;/h3-8H,1-2H3;1H/p-1.
What are the key properties of 3-(4-methoxyphenyl)-5-methyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one bromide?
3-(4-methoxyphenyl)-5-methyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one bromide has a molecular weight of 352.23 g/mol, XLogP of -0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-methyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one bromide is sourced from PubChem (CID 21177480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).