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

C13H10BrN3OS — CID 2492524

IUPAC7-[(4-bromoanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CNc2ccc(Br)cc2)nc2sccn12
InChIInChI=1S/C13H10BrN3OS/c14-9-1-3-10(4-2-9)15-8-11-7-12(18)17-5-6-19-13(17)16-11/h1-7,15H,8H2
InChIKeyRCKHQWYVODHOIN-UHFFFAOYSA-N
MW336.21 g/mol
LogP3.13
Rot. Bonds3

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

7-[(4-bromoanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2492524) has the molecular formula C13H10BrN3OS and a molecular weight of 336.21 g/mol. Its IUPAC name is 7-[(4-bromoanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(4-bromoanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2492524
Molecular FormulaC13H10BrN3OS
Molecular Weight336.21 g/mol
Exact Mass334.97
IUPAC Name7-[(4-bromoanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CNc2ccc(Br)cc2)nc2sccn12
InChIInChI=1S/C13H10BrN3OS/c14-9-1-3-10(4-2-9)15-8-11-7-12(18)17-5-6-19-13(17)16-11/h1-7,15H,8H2
InChIKeyRCKHQWYVODHOIN-UHFFFAOYSA-N
XLogP3.13
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(N-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4360196
2-[({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-N-phenylacetamide
CID 20961886
N-(4-bromophenyl)-2-{[5-ethyl-4-hydroxy-6-oxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
CID 135444390
N-(4-bromophenyl)-2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]acetamide
CID 135416684
2-(6-amino-4-hydroxypyrimidin-2-ylthio)-N-(4-bromophenyl)acetamide
CID 135415544
N-(4-bromophenyl)-2-((4-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamide
CID 135467376
N-(4-bromophenyl)-2-{[4-hydroxy-6-oxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
CID 135539276
N-(4-Bromo-phenyl)-2-(4-hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 135403540
N-(4-bromophenyl)-2-(3-oxo-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide
CID 2939488
N3-(4-bromophenyl)-7-methyl-5-oxo-N2-phenyl-5H-thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
CID 1426218
N-(4-bromo-2-fluorophenyl)-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4124208
N-(4-bromophenyl)-2-{[4-hydroxy-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
CID 135438306

Frequently Asked Questions

What is the IUPAC name of 7-[(4-bromoanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(4-bromoanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2492524) is 7-[(4-bromoanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(4-bromoanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(4-bromoanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CNc2ccc(Br)cc2)nc2sccn12.
What is the InChIKey of 7-[(4-bromoanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is RCKHQWYVODHOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3OS/c14-9-1-3-10(4-2-9)15-8-11-7-12(18)17-5-6-19-13(17)16-11/h1-7,15H,8H2.
What are the key properties of 7-[(4-bromoanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(4-bromoanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 336.21 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-bromoanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2492524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).