5-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole

C13H11FN2S2 — CID 141490503

IUPAC5-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(F)cc2)sc1C1=NCCS1
InChIInChI=1S/C13H11FN2S2/c1-8-11(13-15-6-7-17-13)18-12(16-8)9-2-4-10(14)5-3-9/h2-5H,6-7H2,1H3
InChIKeyFWPMMRCQPHESPB-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.75
Rot. Bonds2

About 5-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole

5-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole (PubChem CID 141490503) has the molecular formula C13H11FN2S2 and a molecular weight of 278.38 g/mol. Its IUPAC name is 5-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
PubChem CID141490503
Molecular FormulaC13H11FN2S2
Molecular Weight278.38 g/mol
Exact Mass278.03
IUPAC Name5-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(F)cc2)sc1C1=NCCS1
InChIInChI=1S/C13H11FN2S2/c1-8-11(13-15-6-7-17-13)18-12(16-8)9-2-4-10(14)5-3-9/h2-5H,6-7H2,1H3
InChIKeyFWPMMRCQPHESPB-UHFFFAOYSA-N
XLogP3.75
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole?
The IUPAC name of 5-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole (CID 141490503) is 5-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 5-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole is Cc1nc(-c2ccc(F)cc2)sc1C1=NCCS1.
What is the InChIKey of 5-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole?
The InChIKey is FWPMMRCQPHESPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2S2/c1-8-11(13-15-6-7-17-13)18-12(16-8)9-2-4-10(14)5-3-9/h2-5H,6-7H2,1H3.
What are the key properties of 5-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole?
5-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole has a molecular weight of 278.38 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 141490503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).