N-[5-(2-amino-1,3-thiazol-4-yl)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide

C17H22FN3O2S — CID 58756859

IUPACN-[5-(2-amino-1,3-thiazol-4-yl)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
SMILESNc1nc(CCCCCNC(=O)COCc2ccc(F)cc2)cs1
InChIInChI=1S/C17H22FN3O2S/c18-14-7-5-13(6-8-14)10-23-11-16(22)20-9-3-1-2-4-15-12-24-17(19)21-15/h5-8,12H,1-4,9-11H2,(H2,19,21)(H,20,22)
InChIKeyLQWXEZSUVNBDGZ-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.91
Rot. Bonds10

About N-[5-(2-amino-1,3-thiazol-4-yl)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide

N-[5-(2-amino-1,3-thiazol-4-yl)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide (PubChem CID 58756859) has the molecular formula C17H22FN3O2S and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[5-(2-amino-1,3-thiazol-4-yl)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide.

Molecular Properties

Compound NameN-[5-(2-amino-1,3-thiazol-4-yl)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
PubChem CID58756859
Molecular FormulaC17H22FN3O2S
Molecular Weight351.45 g/mol
Exact Mass351.14
IUPAC NameN-[5-(2-amino-1,3-thiazol-4-yl)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
SMILESNc1nc(CCCCCNC(=O)COCc2ccc(F)cc2)cs1
InChIInChI=1S/C17H22FN3O2S/c18-14-7-5-13(6-8-14)10-23-11-16(22)20-9-3-1-2-4-15-12-24-17(19)21-15/h5-8,12H,1-4,9-11H2,(H2,19,21)(H,20,22)
InChIKeyLQWXEZSUVNBDGZ-UHFFFAOYSA-N
XLogP2.91
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-[2-[[N'-(2-phenylmethoxyethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 10764761
2-[(4-fluorophenyl)methoxy]-N-[5-[2-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamoylamino]-1,3-thiazol-4-yl]pentyl]acetamide
CID 11952839
N-[[4-[5-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]pentyl]-1,3-thiazol-2-yl]carbamoyl]benzamide
CID 11952840
2-[(4-fluorophenyl)methoxy]-N-[5-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]acetamide
CID 11952841
N-[5-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
CID 11952842
2-[(4-fluorophenyl)methoxy]-N-[5-[2-(piperidin-4-ylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide
CID 11952844
N-(5-(2-acetamidothiazol-4-yl)pentyl)-2-(4-fluorobenzyloxy)acetamide
CID 11952883
Phenyl 4-(5-(2-(4-fluorobenzyloxy)acetamido)-pentyl)thiazol-2-ylcarbamate
CID 11952884
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide
CID 25026752
N-[[2-(1-benzylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-fluorophenyl)methoxy]acetamide
CID 58756762
N-[5-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
CID 58756772
2-[(4-fluorophenyl)methoxy]-N-[(2-piperidin-4-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 58756833

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-1,3-thiazol-4-yl)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide?
The IUPAC name of N-[5-(2-amino-1,3-thiazol-4-yl)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide (CID 58756859) is N-[5-(2-amino-1,3-thiazol-4-yl)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide.
What is the SMILES notation for N-[5-(2-amino-1,3-thiazol-4-yl)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide?
The canonical SMILES for N-[5-(2-amino-1,3-thiazol-4-yl)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide is Nc1nc(CCCCCNC(=O)COCc2ccc(F)cc2)cs1.
What is the InChIKey of N-[5-(2-amino-1,3-thiazol-4-yl)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide?
The InChIKey is LQWXEZSUVNBDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2S/c18-14-7-5-13(6-8-14)10-23-11-16(22)20-9-3-1-2-4-15-12-24-17(19)21-15/h5-8,12H,1-4,9-11H2,(H2,19,21)(H,20,22).
What are the key properties of N-[5-(2-amino-1,3-thiazol-4-yl)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide?
N-[5-(2-amino-1,3-thiazol-4-yl)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide has a molecular weight of 351.45 g/mol, XLogP of 2.91, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-1,3-thiazol-4-yl)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide is sourced from PubChem (CID 58756859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).