4,6-bis(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine

C19H17F2N3S — CID 24816390

IUPAC4,6-bis(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine
SMILESCC1(C)c2nnsc2C(c2ccc(F)cc2)NC1c1ccc(F)cc1
InChIInChI=1S/C19H17F2N3S/c1-19(2)17(12-5-9-14(21)10-6-12)22-15(16-18(19)23-24-25-16)11-3-7-13(20)8-4-11/h3-10,15,17,22H,1-2H3
InChIKeyQXMYGAOEVFPWOJ-UHFFFAOYSA-N
MW357.43 g/mol
LogP4.53
Rot. Bonds2

About 4,6-bis(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine

4,6-bis(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine (PubChem CID 24816390) has the molecular formula C19H17F2N3S and a molecular weight of 357.43 g/mol. Its IUPAC name is 4,6-bis(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name4,6-bis(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine
PubChem CID24816390
Molecular FormulaC19H17F2N3S
Molecular Weight357.43 g/mol
Exact Mass357.11
IUPAC Name4,6-bis(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine
SMILESCC1(C)c2nnsc2C(c2ccc(F)cc2)NC1c1ccc(F)cc1
InChIInChI=1S/C19H17F2N3S/c1-19(2)17(12-5-9-14(21)10-6-12)22-15(16-18(19)23-24-25-16)11-3-7-13(20)8-4-11/h3-10,15,17,22H,1-2H3
InChIKeyQXMYGAOEVFPWOJ-UHFFFAOYSA-N
XLogP4.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine?
The IUPAC name of 4,6-bis(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine (CID 24816390) is 4,6-bis(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine.
What is the SMILES notation for 4,6-bis(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine?
The canonical SMILES for 4,6-bis(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine is CC1(C)c2nnsc2C(c2ccc(F)cc2)NC1c1ccc(F)cc1.
What is the InChIKey of 4,6-bis(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine?
The InChIKey is QXMYGAOEVFPWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3S/c1-19(2)17(12-5-9-14(21)10-6-12)22-15(16-18(19)23-24-25-16)11-3-7-13(20)8-4-11/h3-10,15,17,22H,1-2H3.
What are the key properties of 4,6-bis(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine?
4,6-bis(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine has a molecular weight of 357.43 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-fluorophenyl)-7,7-dimethyl-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine is sourced from PubChem (CID 24816390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).