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

C21H29FN4O3S — CID 87930823

IUPAC2-[(4-fluorophenyl)methoxy]-N-[5-[2-(propylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide
SMILESCCCNC(=O)Nc1nc(CCCCCNC(=O)COCc2ccc(F)cc2)cs1
InChIInChI=1S/C21H29FN4O3S/c1-2-11-24-20(28)26-21-25-18(15-30-21)6-4-3-5-12-23-19(27)14-29-13-16-7-9-17(22)10-8-16/h7-10,15H,2-6,11-14H2,1H3,(H,23,27)(H2,24,25,26,28)
InChIKeyCEVCHMKCHYXEMU-UHFFFAOYSA-N
MW436.55 g/mol
LogP3.86
Rot. Bonds13

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

2-[(4-fluorophenyl)methoxy]-N-[5-[2-(propylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide (PubChem CID 87930823) has the molecular formula C21H29FN4O3S and a molecular weight of 436.55 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-N-[5-[2-(propylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-N-[5-[2-(propylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide
PubChem CID87930823
Molecular FormulaC21H29FN4O3S
Molecular Weight436.55 g/mol
Exact Mass436.19
IUPAC Name2-[(4-fluorophenyl)methoxy]-N-[5-[2-(propylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide
SMILESCCCNC(=O)Nc1nc(CCCCCNC(=O)COCc2ccc(F)cc2)cs1
InChIInChI=1S/C21H29FN4O3S/c1-2-11-24-20(28)26-21-25-18(15-30-21)6-4-3-5-12-23-19(27)14-29-13-16-7-9-17(22)10-8-16/h7-10,15H,2-6,11-14H2,1H3,(H,23,27)(H2,24,25,26,28)
InChIKeyCEVCHMKCHYXEMU-UHFFFAOYSA-N
XLogP3.86
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 53.86
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-[[3-[2-[[N'-(2-phenylmethoxyethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 10764761
2-[2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazol-4-yl]-N-(2-phenylmethoxycyclopentyl)acetamide
CID 71847235
N-[4-[[(2-phenyloxolan-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 119035356
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
1-[(3-Fluorophenyl)methyl]-3-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]urea
CID 25050368

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-[5-[2-(propylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-[5-[2-(propylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide (CID 87930823) is 2-[(4-fluorophenyl)methoxy]-N-[5-[2-(propylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-N-[5-[2-(propylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-N-[5-[2-(propylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide is CCCNC(=O)Nc1nc(CCCCCNC(=O)COCc2ccc(F)cc2)cs1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-N-[5-[2-(propylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide?
The InChIKey is CEVCHMKCHYXEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4O3S/c1-2-11-24-20(28)26-21-25-18(15-30-21)6-4-3-5-12-23-19(27)14-29-13-16-7-9-17(22)10-8-16/h7-10,15H,2-6,11-14H2,1H3,(H,23,27)(H2,24,25,26,28).
What are the key properties of 2-[(4-fluorophenyl)methoxy]-N-[5-[2-(propylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide?
2-[(4-fluorophenyl)methoxy]-N-[5-[2-(propylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide has a molecular weight of 436.55 g/mol, XLogP of 3.86, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-N-[5-[2-(propylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide is sourced from PubChem (CID 87930823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).