2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide

C17H21FN4O2S — CID 41211843

IUPAC2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide
SMILESCCCCCNC(=O)Cc1csc(NC(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C17H21FN4O2S/c1-2-3-4-9-19-15(23)10-14-11-25-17(21-14)22-16(24)20-13-7-5-12(18)6-8-13/h5-8,11H,2-4,9-10H2,1H3,(H,19,23)(H2,20,21,22,24)
InChIKeyNELMRODCXLHNAX-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.78
Rot. Bonds8

About 2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide

2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide (PubChem CID 41211843) has the molecular formula C17H21FN4O2S and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide.

Molecular Properties

Compound Name2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide
PubChem CID41211843
Molecular FormulaC17H21FN4O2S
Molecular Weight364.45 g/mol
Exact Mass364.14
IUPAC Name2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide
SMILESCCCCCNC(=O)Cc1csc(NC(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C17H21FN4O2S/c1-2-3-4-9-19-15(23)10-14-11-25-17(21-14)22-16(24)20-13-7-5-12(18)6-8-13/h5-8,11H,2-4,9-10H2,1H3,(H,19,23)(H2,20,21,22,24)
InChIKeyNELMRODCXLHNAX-UHFFFAOYSA-N
XLogP3.78
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide
CID 41211433
2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-propylacetamide
CID 18567678
N-(3,4-dimethylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211904
2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 41159444
3-[2-[(4-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylpropanamide
CID 27453695
ethyl 4-[[2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 41211886
N-(3-acetamidophenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211959
N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567499
2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide
CID 18567492
N-(3-chloro-2-methylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211916
1-(4-fluorophenyl)-3-octadecylurea
CID 4518520
N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228555

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide?
The IUPAC name of 2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide (CID 41211843) is 2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide.
What is the SMILES notation for 2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide?
The canonical SMILES for 2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide is CCCCCNC(=O)Cc1csc(NC(=O)Nc2ccc(F)cc2)n1.
What is the InChIKey of 2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide?
The InChIKey is NELMRODCXLHNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2S/c1-2-3-4-9-19-15(23)10-14-11-25-17(21-14)22-16(24)20-13-7-5-12(18)6-8-13/h5-8,11H,2-4,9-10H2,1H3,(H,19,23)(H2,20,21,22,24).
What are the key properties of 2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide?
2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide has a molecular weight of 364.45 g/mol, XLogP of 3.78, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide is sourced from PubChem (CID 41211843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).