3-(4-fluorophenyl)-2-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]propanamide

C20H17F2N5OS — CID 133454034

IUPAC3-(4-fluorophenyl)-2-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]propanamide
SMILESNC(=O)C(CNc1nn2cc(-c3ccc(F)cc3)nc2s1)Cc1ccc(F)cc1
InChIInChI=1S/C20H17F2N5OS/c21-15-5-1-12(2-6-15)9-14(18(23)28)10-24-19-26-27-11-17(25-20(27)29-19)13-3-7-16(22)8-4-13/h1-8,11,14H,9-10H2,(H2,23,28)(H,24,26)
InChIKeyNJFHGAGTILDAGC-UHFFFAOYSA-N
MW413.45 g/mol
LogP3.49
Rot. Bonds7

About 3-(4-fluorophenyl)-2-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]propanamide

3-(4-fluorophenyl)-2-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]propanamide (PubChem CID 133454034) has the molecular formula C20H17F2N5OS and a molecular weight of 413.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]propanamide
PubChem CID133454034
Molecular FormulaC20H17F2N5OS
Molecular Weight413.45 g/mol
Exact Mass413.11
IUPAC Name3-(4-fluorophenyl)-2-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]propanamide
SMILESNC(=O)C(CNc1nn2cc(-c3ccc(F)cc3)nc2s1)Cc1ccc(F)cc1
InChIInChI=1S/C20H17F2N5OS/c21-15-5-1-12(2-6-15)9-14(18(23)28)10-24-19-26-27-11-17(25-20(27)29-19)13-3-7-16(22)8-4-13/h1-8,11,14H,9-10H2,(H2,23,28)(H,24,26)
InChIKeyNJFHGAGTILDAGC-UHFFFAOYSA-N
XLogP3.49
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-2-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]propanamide (CID 133454034) is 3-(4-fluorophenyl)-2-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-2-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-2-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]propanamide is NC(=O)C(CNc1nn2cc(-c3ccc(F)cc3)nc2s1)Cc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]propanamide?
The InChIKey is NJFHGAGTILDAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5OS/c21-15-5-1-12(2-6-15)9-14(18(23)28)10-24-19-26-27-11-17(25-20(27)29-19)13-3-7-16(22)8-4-13/h1-8,11,14H,9-10H2,(H2,23,28)(H,24,26).
What are the key properties of 3-(4-fluorophenyl)-2-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]propanamide?
3-(4-fluorophenyl)-2-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]propanamide has a molecular weight of 413.45 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-[[[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]propanamide is sourced from PubChem (CID 133454034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).