4-chloro-6-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-2,3-dihydro-1,3-benzothiazol-2-amine

C24H19ClF5N3OS — CID 169241280

IUPAC4-chloro-6-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-2,3-dihydro-1,3-benzothiazol-2-amine
SMILESNC1Nc2c(Cl)cc(CC(c3cc4c(c(-c5ccc(F)cc5)n3)OCC4CF)C(F)(F)F)cc2S1
InChIInChI=1S/C24H19ClF5N3OS/c25-17-6-11(7-19-21(17)33-23(31)35-19)5-16(24(28,29)30)18-8-15-13(9-26)10-34-22(15)20(32-18)12-1-3-14(27)4-2-12/h1-4,6-8,13,16,23,33H,5,9-10,31H2
InChIKeyDVQZKMRIDPRZIO-UHFFFAOYSA-N
MW527.95 g/mol
LogP6.64
Rot. Bonds5

About 4-chloro-6-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-2,3-dihydro-1,3-benzothiazol-2-amine

4-chloro-6-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-2,3-dihydro-1,3-benzothiazol-2-amine (PubChem CID 169241280) has the molecular formula C24H19ClF5N3OS and a molecular weight of 527.95 g/mol. Its IUPAC name is 4-chloro-6-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-2,3-dihydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-chloro-6-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-2,3-dihydro-1,3-benzothiazol-2-amine
PubChem CID169241280
Molecular FormulaC24H19ClF5N3OS
Molecular Weight527.95 g/mol
Exact Mass527.09
IUPAC Name4-chloro-6-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-2,3-dihydro-1,3-benzothiazol-2-amine
SMILESNC1Nc2c(Cl)cc(CC(c3cc4c(c(-c5ccc(F)cc5)n3)OCC4CF)C(F)(F)F)cc2S1
InChIInChI=1S/C24H19ClF5N3OS/c25-17-6-11(7-19-21(17)33-23(31)35-19)5-16(24(28,29)30)18-8-15-13(9-26)10-34-22(15)20(32-18)12-1-3-14(27)4-2-12/h1-4,6-8,13,16,23,33H,5,9-10,31H2
InChIKeyDVQZKMRIDPRZIO-UHFFFAOYSA-N
XLogP6.64
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.95
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-6-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-2,3-dihydro-1,3-benzothiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-2,3-dihydro-1,3-benzothiazol-2-amine?
The IUPAC name of 4-chloro-6-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-2,3-dihydro-1,3-benzothiazol-2-amine (CID 169241280) is 4-chloro-6-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-2,3-dihydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-chloro-6-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-2,3-dihydro-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-chloro-6-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-2,3-dihydro-1,3-benzothiazol-2-amine is NC1Nc2c(Cl)cc(CC(c3cc4c(c(-c5ccc(F)cc5)n3)OCC4CF)C(F)(F)F)cc2S1.
What is the InChIKey of 4-chloro-6-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-2,3-dihydro-1,3-benzothiazol-2-amine?
The InChIKey is DVQZKMRIDPRZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF5N3OS/c25-17-6-11(7-19-21(17)33-23(31)35-19)5-16(24(28,29)30)18-8-15-13(9-26)10-34-22(15)20(32-18)12-1-3-14(27)4-2-12/h1-4,6-8,13,16,23,33H,5,9-10,31H2.
What are the key properties of 4-chloro-6-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-2,3-dihydro-1,3-benzothiazol-2-amine?
4-chloro-6-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-2,3-dihydro-1,3-benzothiazol-2-amine has a molecular weight of 527.95 g/mol, XLogP of 6.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-2,3-dihydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 169241280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).