7-(2-fluorophenyl)-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine

C14H15FN2S — CID 70546444

IUPAC7-(2-fluorophenyl)-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine
SMILESCC1(C)CN2C=CSC2=NC1c1ccccc1F
InChIInChI=1S/C14H15FN2S/c1-14(2)9-17-7-8-18-13(17)16-12(14)10-5-3-4-6-11(10)15/h3-8,12H,9H2,1-2H3
InChIKeyLMPITJUFKIJDOW-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.78
Rot. Bonds1

About 7-(2-fluorophenyl)-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine

7-(2-fluorophenyl)-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine (PubChem CID 70546444) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 7-(2-fluorophenyl)-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine.

Molecular Properties

Compound Name7-(2-fluorophenyl)-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine
PubChem CID70546444
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name7-(2-fluorophenyl)-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine
SMILESCC1(C)CN2C=CSC2=NC1c1ccccc1F
InChIInChI=1S/C14H15FN2S/c1-14(2)9-17-7-8-18-13(17)16-12(14)10-5-3-4-6-11(10)15/h3-8,12H,9H2,1-2H3
InChIKeyLMPITJUFKIJDOW-UHFFFAOYSA-N
XLogP3.78
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Antafenite
CID 170340
(9E)-9-benzylidene-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
CID 56969023
5-(4-methylphenyl)-7-[(E)-2-(4-methylphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine
CID 162663753
3-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
CID 4604177
6,7-Dihydro-3-phenyl-5H-thiazolo(3,2-A)pyrimidine hydrobromide
CID 12207920
5-(4-Fluorophenyl)-2,3-dihydro-5h-thiazolo[3,2-a]-pyrimidine
CID 129708334
3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine bromide
CID 45108800
4-(2-fluorophenyl)-N,3-dimethyl-1,3-thiazol-2-imine
CID 2438099
3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
CID 2800014
[3-[1-(4-Fluorophenyl)ethyl]-1,3-thiazolidin-2-ylidene]cyanamide
CID 12056894
3-[(4-Fluorophenyl)-phenylmethyl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine
CID 15571267
3-[(2-Fluorophenyl)-(4-fluorophenyl)methyl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine
CID 15571268

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluorophenyl)-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine?
The IUPAC name of 7-(2-fluorophenyl)-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine (CID 70546444) is 7-(2-fluorophenyl)-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine.
What is the SMILES notation for 7-(2-fluorophenyl)-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine?
The canonical SMILES for 7-(2-fluorophenyl)-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine is CC1(C)CN2C=CSC2=NC1c1ccccc1F.
What is the InChIKey of 7-(2-fluorophenyl)-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine?
The InChIKey is LMPITJUFKIJDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c1-14(2)9-17-7-8-18-13(17)16-12(14)10-5-3-4-6-11(10)15/h3-8,12H,9H2,1-2H3.
What are the key properties of 7-(2-fluorophenyl)-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine?
7-(2-fluorophenyl)-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine has a molecular weight of 262.35 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluorophenyl)-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine is sourced from PubChem (CID 70546444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).