N-[5-[1-(cyclopropylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide

C20H25F2N5O2S — CID 25008285

IUPACN-[5-[1-(cyclopropylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nnc(C(C)NC2CC2)s1
InChIInChI=1S/C20H25F2N5O2S/c1-3-4-16(24-17(28)9-12-7-13(21)10-14(22)8-12)18(29)25-20-27-26-19(30-20)11(2)23-15-5-6-15/h7-8,10-11,15-16,23H,3-6,9H2,1-2H3,(H,24,28)(H,25,27,29)
InChIKeyLRCIMXVOROMUHM-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.10
Rot. Bonds10

About N-[5-[1-(cyclopropylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide

N-[5-[1-(cyclopropylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide (PubChem CID 25008285) has the molecular formula C20H25F2N5O2S and a molecular weight of 437.52 g/mol. Its IUPAC name is N-[5-[1-(cyclopropylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide.

Molecular Properties

Compound NameN-[5-[1-(cyclopropylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
PubChem CID25008285
Molecular FormulaC20H25F2N5O2S
Molecular Weight437.52 g/mol
Exact Mass437.17
IUPAC NameN-[5-[1-(cyclopropylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nnc(C(C)NC2CC2)s1
InChIInChI=1S/C20H25F2N5O2S/c1-3-4-16(24-17(28)9-12-7-13(21)10-14(22)8-12)18(29)25-20-27-26-19(30-20)11(2)23-15-5-6-15/h7-8,10-11,15-16,23H,3-6,9H2,1-2H3,(H,24,28)(H,25,27,29)
InChIKeyLRCIMXVOROMUHM-UHFFFAOYSA-N
XLogP3.10
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(cyclopropylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The IUPAC name of N-[5-[1-(cyclopropylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide (CID 25008285) is N-[5-[1-(cyclopropylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide.
What is the SMILES notation for N-[5-[1-(cyclopropylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The canonical SMILES for N-[5-[1-(cyclopropylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide is CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nnc(C(C)NC2CC2)s1.
What is the InChIKey of N-[5-[1-(cyclopropylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The InChIKey is LRCIMXVOROMUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N5O2S/c1-3-4-16(24-17(28)9-12-7-13(21)10-14(22)8-12)18(29)25-20-27-26-19(30-20)11(2)23-15-5-6-15/h7-8,10-11,15-16,23H,3-6,9H2,1-2H3,(H,24,28)(H,25,27,29).
What are the key properties of N-[5-[1-(cyclopropylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
N-[5-[1-(cyclopropylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide has a molecular weight of 437.52 g/mol, XLogP of 3.10, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(cyclopropylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide is sourced from PubChem (CID 25008285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).