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;formamide

C26H25ClF5N5O3S — CID 169241279

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;formamide
SMILESNC1Nc2c(Cl)cc(CC(c3cc4c(c(-c5ccc(F)cc5)n3)OCC4CF)C(F)(F)F)cc2S1.NC=O.NC=O
InChIInChI=1S/C24H19ClF5N3OS.2CH3NO/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;2*2-1-3/h1-4,6-8,13,16,23,33H,5,9-10,31H2;2*1H,(H2,2,3)
InChIKeyWWUASYGOPXOUGC-UHFFFAOYSA-N
MW618.03 g/mol
LogP4.84
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;formamide

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;formamide (PubChem CID 169241279) has the molecular formula C26H25ClF5N5O3S and a molecular weight of 618.03 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;formamide.

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;formamide
PubChem CID169241279
Molecular FormulaC26H25ClF5N5O3S
Molecular Weight618.03 g/mol
Exact Mass617.13
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;formamide
SMILESNC1Nc2c(Cl)cc(CC(c3cc4c(c(-c5ccc(F)cc5)n3)OCC4CF)C(F)(F)F)cc2S1.NC=O.NC=O
InChIInChI=1S/C24H19ClF5N3OS.2CH3NO/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;2*2-1-3/h1-4,6-8,13,16,23,33H,5,9-10,31H2;2*1H,(H2,2,3)
InChIKeyWWUASYGOPXOUGC-UHFFFAOYSA-N
XLogP4.84
TPSA146.35 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.03
LogP ≤ 54.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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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;formamide?
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;formamide (CID 169241279) 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;formamide.
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;formamide?
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;formamide is NC1Nc2c(Cl)cc(CC(c3cc4c(c(-c5ccc(F)cc5)n3)OCC4CF)C(F)(F)F)cc2S1.NC=O.NC=O.
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;formamide?
The InChIKey is WWUASYGOPXOUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF5N3OS.2CH3NO/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;2*2-1-3/h1-4,6-8,13,16,23,33H,5,9-10,31H2;2*1H,(H2,2,3).
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;formamide?
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;formamide has a molecular weight of 618.03 g/mol, XLogP of 4.84, 5 rotatable bonds, 4 hydrogen bond donors, and 7 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;formamide is sourced from PubChem (CID 169241279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).