2-fluoro-N-[4-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]-1,3-thiazol-2-yl]benzamide

C20H25FN4O3S — CID 55894255

IUPAC2-fluoro-N-[4-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]-1,3-thiazol-2-yl]benzamide
SMILESCCCNC(=O)CN(CCC)C(=O)Cc1csc(NC(=O)c2ccccc2F)n1
InChIInChI=1S/C20H25FN4O3S/c1-3-9-22-17(26)12-25(10-4-2)18(27)11-14-13-29-20(23-14)24-19(28)15-7-5-6-8-16(15)21/h5-8,13H,3-4,9-12H2,1-2H3,(H,22,26)(H,23,24,28)
InChIKeyRNRRTJHNVHEFTO-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.84
Rot. Bonds10

About 2-fluoro-N-[4-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]-1,3-thiazol-2-yl]benzamide

2-fluoro-N-[4-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 55894255) has the molecular formula C20H25FN4O3S and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-fluoro-N-[4-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID55894255
Molecular FormulaC20H25FN4O3S
Molecular Weight420.51 g/mol
Exact Mass420.16
IUPAC Name2-fluoro-N-[4-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]-1,3-thiazol-2-yl]benzamide
SMILESCCCNC(=O)CN(CCC)C(=O)Cc1csc(NC(=O)c2ccccc2F)n1
InChIInChI=1S/C20H25FN4O3S/c1-3-9-22-17(26)12-25(10-4-2)18(27)11-14-13-29-20(23-14)24-19(28)15-7-5-6-8-16(15)21/h5-8,13H,3-4,9-12H2,1-2H3,(H,22,26)(H,23,24,28)
InChIKeyRNRRTJHNVHEFTO-UHFFFAOYSA-N
XLogP2.84
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-N-[4-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]-1,3-thiazol-2-yl]benzamide with MolForge

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Related Compounds

3-fluoro-N-[2-[[2-[2-[(2-fluorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]ethyl]-4-methylbenzamide
CID 55706715
N,N-diethyl-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 46114215
N-[2-[[4-[2-(dipropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 3419400
2-fluoro-N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 56557619
2-[2-[[2-[(2-chlorobenzoyl)-propylamino]acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 42776336
2-fluoro-N-[4-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55719953
2-fluoro-N-[4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55719710
N-(2-methoxyethyl)-N-[2-oxo-2-[[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 4129925
2-fluoro-N-[4-[2-[(5-octyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55718760
2-fluoro-N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 47730257
N-[4-[2-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 56576272
N-[4-[2-[3-(4-chlorophenoxy)propyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 55896945

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]-1,3-thiazol-2-yl]benzamide (CID 55894255) is 2-fluoro-N-[4-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]-1,3-thiazol-2-yl]benzamide is CCCNC(=O)CN(CCC)C(=O)Cc1csc(NC(=O)c2ccccc2F)n1.
What is the InChIKey of 2-fluoro-N-[4-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is RNRRTJHNVHEFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O3S/c1-3-9-22-17(26)12-25(10-4-2)18(27)11-14-13-29-20(23-14)24-19(28)15-7-5-6-8-16(15)21/h5-8,13H,3-4,9-12H2,1-2H3,(H,22,26)(H,23,24,28).
What are the key properties of 2-fluoro-N-[4-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]-1,3-thiazol-2-yl]benzamide?
2-fluoro-N-[4-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 420.51 g/mol, XLogP of 2.84, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 55894255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).