(NZ)-N-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-ylidene]-2,5-dimethylpyrrolidine-1-carboxamide

C18H19F2N3O3S — CID 24851807

IUPAC(NZ)-N-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-ylidene]-2,5-dimethylpyrrolidine-1-carboxamide
SMILESCc1cn(-c2ccc3c(c2)OC(F)(F)O3)/c(=N/C(=O)N2C(C)CCC2C)s1
InChIInChI=1S/C18H19F2N3O3S/c1-10-4-5-11(2)23(10)16(24)21-17-22(9-12(3)27-17)13-6-7-14-15(8-13)26-18(19,20)25-14/h6-11H,4-5H2,1-3H3/b21-17-
InChIKeyYZUSTTDLJHEWEV-FXBPSFAMSA-N
MW395.43 g/mol
LogP4.06
Rot. Bonds1

About (NZ)-N-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-ylidene]-2,5-dimethylpyrrolidine-1-carboxamide

(NZ)-N-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-ylidene]-2,5-dimethylpyrrolidine-1-carboxamide (PubChem CID 24851807) has the molecular formula C18H19F2N3O3S and a molecular weight of 395.43 g/mol. Its IUPAC name is (NZ)-N-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-ylidene]-2,5-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(NZ)-N-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-ylidene]-2,5-dimethylpyrrolidine-1-carboxamide
PubChem CID24851807
Molecular FormulaC18H19F2N3O3S
Molecular Weight395.43 g/mol
Exact Mass395.11
IUPAC Name(NZ)-N-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-ylidene]-2,5-dimethylpyrrolidine-1-carboxamide
SMILESCc1cn(-c2ccc3c(c2)OC(F)(F)O3)/c(=N/C(=O)N2C(C)CCC2C)s1
InChIInChI=1S/C18H19F2N3O3S/c1-10-4-5-11(2)23(10)16(24)21-17-22(9-12(3)27-17)13-6-7-14-15(8-13)26-18(19,20)25-14/h6-11H,4-5H2,1-3H3/b21-17-
InChIKeyYZUSTTDLJHEWEV-FXBPSFAMSA-N
XLogP4.06
TPSA56.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-ylidene]-2,5-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of (NZ)-N-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-ylidene]-2,5-dimethylpyrrolidine-1-carboxamide (CID 24851807) is (NZ)-N-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-ylidene]-2,5-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for (NZ)-N-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-ylidene]-2,5-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for (NZ)-N-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-ylidene]-2,5-dimethylpyrrolidine-1-carboxamide is Cc1cn(-c2ccc3c(c2)OC(F)(F)O3)/c(=N/C(=O)N2C(C)CCC2C)s1.
What is the InChIKey of (NZ)-N-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-ylidene]-2,5-dimethylpyrrolidine-1-carboxamide?
The InChIKey is YZUSTTDLJHEWEV-FXBPSFAMSA-N. The full InChI is InChI=1S/C18H19F2N3O3S/c1-10-4-5-11(2)23(10)16(24)21-17-22(9-12(3)27-17)13-6-7-14-15(8-13)26-18(19,20)25-14/h6-11H,4-5H2,1-3H3/b21-17-.
What are the key properties of (NZ)-N-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-ylidene]-2,5-dimethylpyrrolidine-1-carboxamide?
(NZ)-N-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-ylidene]-2,5-dimethylpyrrolidine-1-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-2-ylidene]-2,5-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 24851807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).