N-[5-[3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide

C23H26F2N8O2S2 — CID 123279184

IUPACN-[5-[3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(C2CCCC(c3nnc(NC(=O)Cc4cccc(N5CC(F)(F)C5)n4)s3)C2)s1
InChIInChI=1S/C23H26F2N8O2S2/c1-2-17(34)27-21-31-29-19(36-21)13-5-3-6-14(9-13)20-30-32-22(37-20)28-18(35)10-15-7-4-8-16(26-15)33-11-23(24,25)12-33/h4,7-8,13-14H,2-3,5-6,9-12H2,1H3,(H,27,31,34)(H,28,32,35)
InChIKeyLPFGUWATRYFNHB-UHFFFAOYSA-N
MW548.65 g/mol
LogP4.21
Rot. Bonds8

About N-[5-[3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide

N-[5-[3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 123279184) has the molecular formula C23H26F2N8O2S2 and a molecular weight of 548.65 g/mol. Its IUPAC name is N-[5-[3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-[3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID123279184
Molecular FormulaC23H26F2N8O2S2
Molecular Weight548.65 g/mol
Exact Mass548.16
IUPAC NameN-[5-[3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(C2CCCC(c3nnc(NC(=O)Cc4cccc(N5CC(F)(F)C5)n4)s3)C2)s1
InChIInChI=1S/C23H26F2N8O2S2/c1-2-17(34)27-21-31-29-19(36-21)13-5-3-6-14(9-13)20-30-32-22(37-20)28-18(35)10-15-7-4-8-16(26-15)33-11-23(24,25)12-33/h4,7-8,13-14H,2-3,5-6,9-12H2,1H3,(H,27,31,34)(H,28,32,35)
InChIKeyLPFGUWATRYFNHB-UHFFFAOYSA-N
XLogP4.21
TPSA125.89 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.65
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[5-[3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of N-[5-[3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide (CID 123279184) is N-[5-[3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-[3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for N-[5-[3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide is CCC(=O)Nc1nnc(C2CCCC(c3nnc(NC(=O)Cc4cccc(N5CC(F)(F)C5)n4)s3)C2)s1.
What is the InChIKey of N-[5-[3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is LPFGUWATRYFNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N8O2S2/c1-2-17(34)27-21-31-29-19(36-21)13-5-3-6-14(9-13)20-30-32-22(37-20)28-18(35)10-15-7-4-8-16(26-15)33-11-23(24,25)12-33/h4,7-8,13-14H,2-3,5-6,9-12H2,1H3,(H,27,31,34)(H,28,32,35).
What are the key properties of N-[5-[3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide?
N-[5-[3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 548.65 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 123279184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).