3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine bromide

C12H10BrF2N2S- — CID 45108800

IUPAC3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine bromide
SMILESFc1ccc(C2=CSC3=NCCCN23)cc1F.[Br-]
InChIInChI=1S/C12H10F2N2S.BrH/c13-9-3-2-8(6-10(9)14)11-7-17-12-15-4-1-5-16(11)12;/h2-3,6-7H,1,4-5H2;1H/p-1
InChIKeyMOHIZVLFXMIBAB-UHFFFAOYSA-M
MW332.19 g/mol
LogP0.08
Rot. Bonds1

About 3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine bromide

3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine bromide (PubChem CID 45108800) has the molecular formula C12H10BrF2N2S- and a molecular weight of 332.19 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine bromide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine bromide
PubChem CID45108800
Molecular FormulaC12H10BrF2N2S-
Molecular Weight332.19 g/mol
Exact Mass330.97
IUPAC Name3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine bromide
SMILESFc1ccc(C2=CSC3=NCCCN23)cc1F.[Br-]
InChIInChI=1S/C12H10F2N2S.BrH/c13-9-3-2-8(6-10(9)14)11-7-17-12-15-4-1-5-16(11)12;/h2-3,6-7H,1,4-5H2;1H/p-1
InChIKeyMOHIZVLFXMIBAB-UHFFFAOYSA-M
XLogP0.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine bromide?
The IUPAC name of 3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine bromide (CID 45108800) is 3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine bromide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine bromide?
The canonical SMILES for 3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine bromide is Fc1ccc(C2=CSC3=NCCCN23)cc1F.[Br-].
What is the InChIKey of 3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine bromide?
The InChIKey is MOHIZVLFXMIBAB-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10F2N2S.BrH/c13-9-3-2-8(6-10(9)14)11-7-17-12-15-4-1-5-16(11)12;/h2-3,6-7H,1,4-5H2;1H/p-1.
What are the key properties of 3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine bromide?
3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine bromide has a molecular weight of 332.19 g/mol, XLogP of 0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine bromide is sourced from PubChem (CID 45108800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).