N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide

C13H14FN3O2S — CID 3827619

IUPACN-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1)C(=O)NC1=NCCS1
InChIInChI=1S/C13H14FN3O2S/c1-8(11(18)17-13-15-6-7-20-13)16-12(19)9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3,(H,16,19)(H,15,17,18)
InChIKeyRQGGACXOQBZXHT-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.16
Rot. Bonds3

About N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide

N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide (PubChem CID 3827619) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide
PubChem CID3827619
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC NameN-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1)C(=O)NC1=NCCS1
InChIInChI=1S/C13H14FN3O2S/c1-8(11(18)17-13-15-6-7-20-13)16-12(19)9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3,(H,16,19)(H,15,17,18)
InChIKeyRQGGACXOQBZXHT-UHFFFAOYSA-N
XLogP1.16
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-Dihydro-1,3-thiazol-2-yl)-4-methylbenzamide
CID 776902
N-(4,5-Dihydro-thiazol-2-yl)-benzamide
CID 802148
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-fluorobenzamide
CID 821560
N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 745463
N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 892629
3-(diethylsulfamoyl)-N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2110705
(2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(2,6-difluorophenyl)methanone
CID 4612087
N-[5-oxo-6-(trifluoromethyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide
CID 2962300
4-methyl-N-[5-oxo-6-(trifluoromethyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]benzamide
CID 3757861
1-(2-Fluorobenzoyl)-2-methylthio-2-imidazoline
CID 3236905
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-fluorobenzamide
CID 924634
2-Acetamido-3-phenyl-N-(3-methyl-2-thiazolidinylidene)propionamide
CID 3049954

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide (CID 3827619) is N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide is CC(NC(=O)c1ccc(F)cc1)C(=O)NC1=NCCS1.
What is the InChIKey of N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide?
The InChIKey is RQGGACXOQBZXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-8(11(18)17-13-15-6-7-20-13)16-12(19)9-2-4-10(14)5-3-9/h2-5,8H,6-7H2,1H3,(H,16,19)(H,15,17,18).
What are the key properties of N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide?
N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide has a molecular weight of 295.34 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 3827619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).