6-fluoro-1-(4-phenyl-1,3-thiazol-2-yl)-4H-thiochromeno[3,4-d]pyrazole

C19H12FN3S2 — CID 102435244

IUPAC6-fluoro-1-(4-phenyl-1,3-thiazol-2-yl)-4H-thiochromeno[3,4-d]pyrazole
SMILESFc1cccc2c1SCc1cnn(-c3nc(-c4ccccc4)cs3)c1-2
InChIInChI=1S/C19H12FN3S2/c20-15-8-4-7-14-17-13(10-24-18(14)15)9-21-23(17)19-22-16(11-25-19)12-5-2-1-3-6-12/h1-9,11H,10H2
InChIKeySEUQUYOGEXTRKO-UHFFFAOYSA-N
MW365.46 g/mol
LogP5.41
Rot. Bonds2

About 6-fluoro-1-(4-phenyl-1,3-thiazol-2-yl)-4H-thiochromeno[3,4-d]pyrazole

6-fluoro-1-(4-phenyl-1,3-thiazol-2-yl)-4H-thiochromeno[3,4-d]pyrazole (PubChem CID 102435244) has the molecular formula C19H12FN3S2 and a molecular weight of 365.46 g/mol. Its IUPAC name is 6-fluoro-1-(4-phenyl-1,3-thiazol-2-yl)-4H-thiochromeno[3,4-d]pyrazole.

Molecular Properties

Compound Name6-fluoro-1-(4-phenyl-1,3-thiazol-2-yl)-4H-thiochromeno[3,4-d]pyrazole
PubChem CID102435244
Molecular FormulaC19H12FN3S2
Molecular Weight365.46 g/mol
Exact Mass365.05
IUPAC Name6-fluoro-1-(4-phenyl-1,3-thiazol-2-yl)-4H-thiochromeno[3,4-d]pyrazole
SMILESFc1cccc2c1SCc1cnn(-c3nc(-c4ccccc4)cs3)c1-2
InChIInChI=1S/C19H12FN3S2/c20-15-8-4-7-14-17-13(10-24-18(14)15)9-21-23(17)19-22-16(11-25-19)12-5-2-1-3-6-12/h1-9,11H,10H2
InChIKeySEUQUYOGEXTRKO-UHFFFAOYSA-N
XLogP5.41
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.46
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(4-phenyl-1,3-thiazol-2-yl)-4H-thiochromeno[3,4-d]pyrazole?
The IUPAC name of 6-fluoro-1-(4-phenyl-1,3-thiazol-2-yl)-4H-thiochromeno[3,4-d]pyrazole (CID 102435244) is 6-fluoro-1-(4-phenyl-1,3-thiazol-2-yl)-4H-thiochromeno[3,4-d]pyrazole.
What is the SMILES notation for 6-fluoro-1-(4-phenyl-1,3-thiazol-2-yl)-4H-thiochromeno[3,4-d]pyrazole?
The canonical SMILES for 6-fluoro-1-(4-phenyl-1,3-thiazol-2-yl)-4H-thiochromeno[3,4-d]pyrazole is Fc1cccc2c1SCc1cnn(-c3nc(-c4ccccc4)cs3)c1-2.
What is the InChIKey of 6-fluoro-1-(4-phenyl-1,3-thiazol-2-yl)-4H-thiochromeno[3,4-d]pyrazole?
The InChIKey is SEUQUYOGEXTRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3S2/c20-15-8-4-7-14-17-13(10-24-18(14)15)9-21-23(17)19-22-16(11-25-19)12-5-2-1-3-6-12/h1-9,11H,10H2.
What are the key properties of 6-fluoro-1-(4-phenyl-1,3-thiazol-2-yl)-4H-thiochromeno[3,4-d]pyrazole?
6-fluoro-1-(4-phenyl-1,3-thiazol-2-yl)-4H-thiochromeno[3,4-d]pyrazole has a molecular weight of 365.46 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(4-phenyl-1,3-thiazol-2-yl)-4H-thiochromeno[3,4-d]pyrazole is sourced from PubChem (CID 102435244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).