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

C25H29FN4O3S — CID 87804784

IUPACN-[5-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
SMILESO=C(COCc1ccc(F)cc1)NCCCCCc1csc(NC(=O)NCc2ccccc2)n1
InChIInChI=1S/C25H29FN4O3S/c26-21-12-10-20(11-13-21)16-33-17-23(31)27-14-6-2-5-9-22-18-34-25(29-22)30-24(32)28-15-19-7-3-1-4-8-19/h1,3-4,7-8,10-13,18H,2,5-6,9,14-17H2,(H,27,31)(H2,28,29,30,32)
InChIKeyKFLFEBXAYUXJQW-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.65
Rot. Bonds13

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

N-[5-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide (PubChem CID 87804784) has the molecular formula C25H29FN4O3S and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[5-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide.

Molecular Properties

Compound NameN-[5-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
PubChem CID87804784
Molecular FormulaC25H29FN4O3S
Molecular Weight484.60 g/mol
Exact Mass484.19
IUPAC NameN-[5-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
SMILESO=C(COCc1ccc(F)cc1)NCCCCCc1csc(NC(=O)NCc2ccccc2)n1
InChIInChI=1S/C25H29FN4O3S/c26-21-12-10-20(11-13-21)16-33-17-23(31)27-14-6-2-5-9-22-18-34-25(29-22)30-24(32)28-15-19-7-3-1-4-8-19/h1,3-4,7-8,10-13,18H,2,5-6,9,14-17H2,(H,27,31)(H2,28,29,30,32)
InChIKeyKFLFEBXAYUXJQW-UHFFFAOYSA-N
XLogP4.65
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
CID 87930815
4-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]butanoic acid
CID 18322950
ethyl 4-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]butanoate
CID 18322926
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide
CID 25026752
1-[(4-fluorophenyl)methyl]-3-(3-phenylmethoxypropyl)urea
CID 38212673
2-[(4-fluorophenyl)methoxy]-N-(4-iodobutyl)acetamide
CID 58757082
2-[(4-fluorophenyl)methoxy]-N-(3-hydroxypropyl)acetamide
CID 58756727
N-[5-(carbamothioylamino)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
CID 86609289
1-benzyl-3-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]urea
CID 110397912
N-(7-bromo-6-oxoheptyl)-2-[(4-fluorophenyl)methoxy]acetamide
CID 58756809
N-[(4-fluorophenyl)methyl]-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555777
4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41228449

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide?
The IUPAC name of N-[5-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide (CID 87804784) is N-[5-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide.
What is the SMILES notation for N-[5-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide?
The canonical SMILES for N-[5-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide is O=C(COCc1ccc(F)cc1)NCCCCCc1csc(NC(=O)NCc2ccccc2)n1.
What is the InChIKey of N-[5-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide?
The InChIKey is KFLFEBXAYUXJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O3S/c26-21-12-10-20(11-13-21)16-33-17-23(31)27-14-6-2-5-9-22-18-34-25(29-22)30-24(32)28-15-19-7-3-1-4-8-19/h1,3-4,7-8,10-13,18H,2,5-6,9,14-17H2,(H,27,31)(H2,28,29,30,32).
What are the key properties of N-[5-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide?
N-[5-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide has a molecular weight of 484.60 g/mol, XLogP of 4.65, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(benzylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide is sourced from PubChem (CID 87804784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).