6-[(4-bromophenyl)methyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C14H13BrN2OS — CID 17122098

IUPAC6-[(4-bromophenyl)methyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2n(c(=O)c1Cc1ccc(Br)cc1)CCS2
InChIInChI=1S/C14H13BrN2OS/c1-9-12(8-10-2-4-11(15)5-3-10)13(18)17-6-7-19-14(17)16-9/h2-5H,6-8H2,1H3
InChIKeyYAOGIKQCODVQNF-UHFFFAOYSA-N
MW337.24 g/mol
LogP3.01
Rot. Bonds2

About 6-[(4-bromophenyl)methyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[(4-bromophenyl)methyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 17122098) has the molecular formula C14H13BrN2OS and a molecular weight of 337.24 g/mol. Its IUPAC name is 6-[(4-bromophenyl)methyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[(4-bromophenyl)methyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID17122098
Molecular FormulaC14H13BrN2OS
Molecular Weight337.24 g/mol
Exact Mass335.99
IUPAC Name6-[(4-bromophenyl)methyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2n(c(=O)c1Cc1ccc(Br)cc1)CCS2
InChIInChI=1S/C14H13BrN2OS/c1-9-12(8-10-2-4-11(15)5-3-10)13(18)17-6-7-19-14(17)16-9/h2-5H,6-8H2,1H3
InChIKeyYAOGIKQCODVQNF-UHFFFAOYSA-N
XLogP3.01
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromophenyl)methyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[(4-bromophenyl)methyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 17122098) is 6-[(4-bromophenyl)methyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[(4-bromophenyl)methyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[(4-bromophenyl)methyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2n(c(=O)c1Cc1ccc(Br)cc1)CCS2.
What is the InChIKey of 6-[(4-bromophenyl)methyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is YAOGIKQCODVQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2OS/c1-9-12(8-10-2-4-11(15)5-3-10)13(18)17-6-7-19-14(17)16-9/h2-5H,6-8H2,1H3.
What are the key properties of 6-[(4-bromophenyl)methyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[(4-bromophenyl)methyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 337.24 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromophenyl)methyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 17122098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).