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

C19H17FN2S — CID 15571249

IUPAC3-[(4-fluorophenyl)-phenylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
SMILESFc1ccc(C(C2=CSC3=NCCCN23)c2ccccc2)cc1
InChIInChI=1S/C19H17FN2S/c20-16-9-7-15(8-10-16)18(14-5-2-1-3-6-14)17-13-23-19-21-11-4-12-22(17)19/h1-3,5-10,13,18H,4,11-12H2
InChIKeyLSXUOSMCQXYAGP-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.61
Rot. Bonds3

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

3-[(4-fluorophenyl)-phenylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine (PubChem CID 15571249) has the molecular formula C19H17FN2S and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)-phenylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)-phenylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
PubChem CID15571249
Molecular FormulaC19H17FN2S
Molecular Weight324.42 g/mol
Exact Mass324.11
IUPAC Name3-[(4-fluorophenyl)-phenylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
SMILESFc1ccc(C(C2=CSC3=NCCCN23)c2ccccc2)cc1
InChIInChI=1S/C19H17FN2S/c20-16-9-7-15(8-10-16)18(14-5-2-1-3-6-14)17-13-23-19-21-11-4-12-22(17)19/h1-3,5-10,13,18H,4,11-12H2
InChIKeyLSXUOSMCQXYAGP-UHFFFAOYSA-N
XLogP4.61
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(13E)-13-benzylidene-6-(4-fluorophenyl)-8-phenyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene
CID 73333301
(9E)-9-benzylidene-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
CID 56969023
(9E)-9-benzylidene-3-methyl-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
CID 56969024
(9E)-9-(4-fluorobenzylidene)-5-(4-fluorophenyl)-3-phenyl-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline
CID 5920031
5-(4-methylphenyl)-7-[(E)-2-(4-methylphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine
CID 162663753
3-methyl-5-(4-methylphenyl)-7-[(E)-2-(4-methylphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine
CID 162671969
(9E)-9-(4-fluorobenzylidene)-3,5-bis(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline
CID 5896421
3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine bromide
CID 45108800
4-(4-cyclohexylphenyl)-N-(4-fluorophenyl)-3-(2-methylpropyl)-1,3-thiazol-2-imine
CID 1823989
3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
CID 2800014
2-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
CID 13051920
2-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[3,2-a][1,3]diazocine
CID 13051931

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)-phenylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The IUPAC name of 3-[(4-fluorophenyl)-phenylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine (CID 15571249) is 3-[(4-fluorophenyl)-phenylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine.
What is the SMILES notation for 3-[(4-fluorophenyl)-phenylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The canonical SMILES for 3-[(4-fluorophenyl)-phenylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine is Fc1ccc(C(C2=CSC3=NCCCN23)c2ccccc2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)-phenylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The InChIKey is LSXUOSMCQXYAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2S/c20-16-9-7-15(8-10-16)18(14-5-2-1-3-6-14)17-13-23-19-21-11-4-12-22(17)19/h1-3,5-10,13,18H,4,11-12H2.
What are the key properties of 3-[(4-fluorophenyl)-phenylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
3-[(4-fluorophenyl)-phenylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine has a molecular weight of 324.42 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)-phenylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine is sourced from PubChem (CID 15571249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).