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

C19H17FN2OS — CID 13051923

IUPAC2-(2-fluorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
SMILESCOc1ccc(C2=C(c3ccccc3F)SC3=NCCCN32)cc1
InChIInChI=1S/C19H17FN2OS/c1-23-14-9-7-13(8-10-14)17-18(15-5-2-3-6-16(15)20)24-19-21-11-4-12-22(17)19/h2-3,5-10H,4,11-12H2,1H3
InChIKeyOUGURMMCSDHAGR-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.47
Rot. Bonds3

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

2-(2-fluorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine (PubChem CID 13051923) has the molecular formula C19H17FN2OS and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
PubChem CID13051923
Molecular FormulaC19H17FN2OS
Molecular Weight340.42 g/mol
Exact Mass340.10
IUPAC Name2-(2-fluorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
SMILESCOc1ccc(C2=C(c3ccccc3F)SC3=NCCCN32)cc1
InChIInChI=1S/C19H17FN2OS/c1-23-14-9-7-13(8-10-14)17-18(15-5-2-3-6-16(15)20)24-19-21-11-4-12-22(17)19/h2-3,5-10H,4,11-12H2,1H3
InChIKeyOUGURMMCSDHAGR-UHFFFAOYSA-N
XLogP4.47
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

Triazolo-benzodiazepine derivative 1
CID 71254559
3-(4-Methoxyphenyl)-2-methyl-5,6-dihydroimidazo[2,1-b]thiazole hydrobromide
CID 16237819
4-(5,6-Dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-fluorophenyl methyl ether hydrobromide
CID 2858220
2-[(2Z)-4-(3-fluoro-4-methoxyphenyl)-2-(phenylimino)-1,3-thiazol-3(2H)-yl]ethanol
CID 683363
3-(4-Methoxy-phenyl)-5,6-dihydro-imidazo(2,1-B)thiazole, hydrobromide
CID 15563881
(13E)-11-ethyl-8-(4-methoxyphenyl)-13-[(4-methoxyphenyl)methylidene]-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene
CID 56969696
3-ethyl-4-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-imine
CID 693862
N-(3-(3-(Dimethylamino)propyl)-4-(4-methoxyphenyl)-1,3-thiazol-2(3H)-ylidene)aniline
CID 396118
2-[(2Z)-4-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)imino]-1,3-thiazol-3(2H)-yl]ethanol
CID 1514809
6,7-Bis(4-methoxyphenyl)-3,4-dihydro-[1,3]thiazolo[2,3-c][1,2,4]thiadiazine 2,2-dioxide
CID 2388857
N-benzyl-5-(iodomethyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide
CID 45927218
N-benzyl-5-(bromomethyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine;hydrobromide
CID 127035296

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The IUPAC name of 2-(2-fluorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine (CID 13051923) is 2-(2-fluorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine.
What is the SMILES notation for 2-(2-fluorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The canonical SMILES for 2-(2-fluorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine is COc1ccc(C2=C(c3ccccc3F)SC3=NCCCN32)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The InChIKey is OUGURMMCSDHAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2OS/c1-23-14-9-7-13(8-10-14)17-18(15-5-2-3-6-16(15)20)24-19-21-11-4-12-22(17)19/h2-3,5-10H,4,11-12H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
2-(2-fluorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine has a molecular weight of 340.42 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine is sourced from PubChem (CID 13051923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).