N-[5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide

C23H32F2N4O2S — CID 91577520

IUPACN-[5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
SMILESCCCCNC(C)c1sc(NC(=O)C(CCC)NC(=O)Cc2cc(F)cc(F)c2)nc1C
InChIInChI=1S/C23H32F2N4O2S/c1-5-7-9-26-14(3)21-15(4)27-23(32-21)29-22(31)19(8-6-2)28-20(30)12-16-10-17(24)13-18(25)11-16/h10-11,13-14,19,26H,5-9,12H2,1-4H3,(H,28,30)(H,27,29,31)
InChIKeySSZBTLPIKPHKPX-UHFFFAOYSA-N
MW466.60 g/mol
LogP4.65
Rot. Bonds12

About N-[5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide

N-[5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide (PubChem CID 91577520) has the molecular formula C23H32F2N4O2S and a molecular weight of 466.60 g/mol. Its IUPAC name is N-[5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide.

Molecular Properties

Compound NameN-[5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
PubChem CID91577520
Molecular FormulaC23H32F2N4O2S
Molecular Weight466.60 g/mol
Exact Mass466.22
IUPAC NameN-[5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
SMILESCCCCNC(C)c1sc(NC(=O)C(CCC)NC(=O)Cc2cc(F)cc(F)c2)nc1C
InChIInChI=1S/C23H32F2N4O2S/c1-5-7-9-26-14(3)21-15(4)27-23(32-21)29-22(31)19(8-6-2)28-20(30)12-16-10-17(24)13-18(25)11-16/h10-11,13-14,19,26H,5-9,12H2,1-4H3,(H,28,30)(H,27,29,31)
InChIKeySSZBTLPIKPHKPX-UHFFFAOYSA-N
XLogP4.65
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide 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-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The IUPAC name of N-[5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide (CID 91577520) is N-[5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide.
What is the SMILES notation for N-[5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The canonical SMILES for N-[5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide is CCCCNC(C)c1sc(NC(=O)C(CCC)NC(=O)Cc2cc(F)cc(F)c2)nc1C.
What is the InChIKey of N-[5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The InChIKey is SSZBTLPIKPHKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F2N4O2S/c1-5-7-9-26-14(3)21-15(4)27-23(32-21)29-22(31)19(8-6-2)28-20(30)12-16-10-17(24)13-18(25)11-16/h10-11,13-14,19,26H,5-9,12H2,1-4H3,(H,28,30)(H,27,29,31).
What are the key properties of N-[5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
N-[5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide has a molecular weight of 466.60 g/mol, XLogP of 4.65, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide is sourced from PubChem (CID 91577520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).