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

C19H16F2N2S — CID 13051920

IUPAC2-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
SMILESFc1ccc(CC2=C(c3ccc(F)cc3)SC3=NCCCN32)cc1
InChIInChI=1S/C19H16F2N2S/c20-15-6-2-13(3-7-15)12-17-18(14-4-8-16(21)9-5-14)24-19-22-10-1-11-23(17)19/h2-9H,1,10-12H2
InChIKeyIFEJHXOIYTYSGV-UHFFFAOYSA-N
MW342.41 g/mol
LogP4.68
Rot. Bonds3

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

2-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine (PubChem CID 13051920) has the molecular formula C19H16F2N2S and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
PubChem CID13051920
Molecular FormulaC19H16F2N2S
Molecular Weight342.41 g/mol
Exact Mass342.10
IUPAC Name2-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
SMILESFc1ccc(CC2=C(c3ccc(F)cc3)SC3=NCCCN32)cc1
InChIInChI=1S/C19H16F2N2S/c20-15-6-2-13(3-7-15)12-17-18(14-4-8-16(21)9-5-14)24-19-22-10-1-11-23(17)19/h2-9H,1,10-12H2
InChIKeyIFEJHXOIYTYSGV-UHFFFAOYSA-N
XLogP4.68
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylsulfanyl-1-cyclohexyl-5,6-dihydro-4H-pyrimidine chloride
CID 45108820
3-(3,4-difluorophenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
CID 2800014
N-(3-benzyl-4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2(3H)-ylidene)-N-methylamine
CID 45035650
N-(3-benzyl-5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2(3H)-ylidene)-N-methylamine
CID 56693405
2-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[3,2-a][1,3]diazocine
CID 13051931
3-[(2-fluorophenyl)-(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
CID 15571247
3-[(4-fluorophenyl)-phenylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
CID 15571249
3-[bis(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
CID 15571256
3-[(4-Fluorophenyl)-(3-methylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine
CID 15571265
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
3-[(3-Fluorophenyl)-(4-fluorophenyl)methyl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine
CID 15571269

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The IUPAC name of 2-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine (CID 13051920) is 2-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The canonical SMILES for 2-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine is Fc1ccc(CC2=C(c3ccc(F)cc3)SC3=NCCCN32)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The InChIKey is IFEJHXOIYTYSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2S/c20-15-6-2-13(3-7-15)12-17-18(14-4-8-16(21)9-5-14)24-19-22-10-1-11-23(17)19/h2-9H,1,10-12H2.
What are the key properties of 2-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
2-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine has a molecular weight of 342.41 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine is sourced from PubChem (CID 13051920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).