5-chloro-4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazole

C12H11ClFN3S — CID 24657280

IUPAC5-chloro-4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazole
SMILESFc1cccc2c1N(Cc1nnsc1Cl)CCC2
InChIInChI=1S/C12H11ClFN3S/c13-12-10(15-16-18-12)7-17-6-2-4-8-3-1-5-9(14)11(8)17/h1,3,5H,2,4,6-7H2
InChIKeyWFMGTGCIDOALAP-UHFFFAOYSA-N
MW283.76 g/mol
LogP3.28
Rot. Bonds2

About 5-chloro-4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazole

5-chloro-4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazole (PubChem CID 24657280) has the molecular formula C12H11ClFN3S and a molecular weight of 283.76 g/mol. Its IUPAC name is 5-chloro-4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazole
PubChem CID24657280
Molecular FormulaC12H11ClFN3S
Molecular Weight283.76 g/mol
Exact Mass283.03
IUPAC Name5-chloro-4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazole
SMILESFc1cccc2c1N(Cc1nnsc1Cl)CCC2
InChIInChI=1S/C12H11ClFN3S/c13-12-10(15-16-18-12)7-17-6-2-4-8-3-1-5-9(14)11(8)17/h1,3,5H,2,4,6-7H2
InChIKeyWFMGTGCIDOALAP-UHFFFAOYSA-N
XLogP3.28
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazole (CID 24657280) is 5-chloro-4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazole is Fc1cccc2c1N(Cc1nnsc1Cl)CCC2.
What is the InChIKey of 5-chloro-4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazole?
The InChIKey is WFMGTGCIDOALAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3S/c13-12-10(15-16-18-12)7-17-6-2-4-8-3-1-5-9(14)11(8)17/h1,3,5H,2,4,6-7H2.
What are the key properties of 5-chloro-4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazole?
5-chloro-4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazole has a molecular weight of 283.76 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]thiadiazole is sourced from PubChem (CID 24657280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).