7-bromo-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one

C12H10BrN3OS2 — CID 9454268

IUPAC7-bromo-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CSC2=NCCS2)nc2ccc(Br)cn12
InChIInChI=1S/C12H10BrN3OS2/c13-8-1-2-10-15-9(5-11(17)16(10)6-8)7-19-12-14-3-4-18-12/h1-2,5-6H,3-4,7H2
InChIKeyUBWXCYQWEIQRLM-UHFFFAOYSA-N
MW356.27 g/mol
LogP2.79
Rot. Bonds2

About 7-bromo-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one

7-bromo-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 9454268) has the molecular formula C12H10BrN3OS2 and a molecular weight of 356.27 g/mol. Its IUPAC name is 7-bromo-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID9454268
Molecular FormulaC12H10BrN3OS2
Molecular Weight356.27 g/mol
Exact Mass354.94
IUPAC Name7-bromo-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CSC2=NCCS2)nc2ccc(Br)cn12
InChIInChI=1S/C12H10BrN3OS2/c13-8-1-2-10-15-9(5-11(17)16(10)6-8)7-19-12-14-3-4-18-12/h1-2,5-6H,3-4,7H2
InChIKeyUBWXCYQWEIQRLM-UHFFFAOYSA-N
XLogP2.79
TPSA46.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.27
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one (CID 9454268) is 7-bromo-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CSC2=NCCS2)nc2ccc(Br)cn12.
What is the InChIKey of 7-bromo-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is UBWXCYQWEIQRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3OS2/c13-8-1-2-10-15-9(5-11(17)16(10)6-8)7-19-12-14-3-4-18-12/h1-2,5-6H,3-4,7H2.
What are the key properties of 7-bromo-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one?
7-bromo-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 356.27 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 9454268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).