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

C13H14FN3O2S — CID 47365639

IUPACN-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-4-fluorobenzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1)NC1=NCCS1
InChIInChI=1S/C13H14FN3O2S/c14-10-3-1-9(2-4-10)12(19)15-6-5-11(18)17-13-16-7-8-20-13/h1-4H,5-8H2,(H,15,19)(H,16,17,18)
InChIKeyFJBKINBOJCTXKG-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.16
Rot. Bonds4

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

N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-4-fluorobenzamide (PubChem CID 47365639) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-4-fluorobenzamide
PubChem CID47365639
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC NameN-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-4-fluorobenzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1)NC1=NCCS1
InChIInChI=1S/C13H14FN3O2S/c14-10-3-1-9(2-4-10)12(19)15-6-5-11(18)17-13-16-7-8-20-13/h1-4H,5-8H2,(H,15,19)(H,16,17,18)
InChIKeyFJBKINBOJCTXKG-UHFFFAOYSA-N
XLogP1.16
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

Analyze N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2,4-difluorobenzamide
CID 46559091
N-[3-(tert-butylamino)-3-oxopropyl]-4-fluorobenzamide
CID 47365751
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
4-chloro-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 4795367
4-fluoro-N-(2-fluoroethyl)benzamide
CID 130478179
4-fluoro-N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]benzamide
CID 60573098
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(ethylsulfanylmethyl)benzamide
CID 47299837
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-ethoxyphenoxy)acetamide
CID 3881497
4-bromo-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide
CID 2530960
N-[2-(3-aminopropanoylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119299548
4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-4-fluorobenzamide?
The IUPAC name of N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-4-fluorobenzamide (CID 47365639) is N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-4-fluorobenzamide is O=C(CCNC(=O)c1ccc(F)cc1)NC1=NCCS1.
What is the InChIKey of N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-4-fluorobenzamide?
The InChIKey is FJBKINBOJCTXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c14-10-3-1-9(2-4-10)12(19)15-6-5-11(18)17-13-16-7-8-20-13/h1-4H,5-8H2,(H,15,19)(H,16,17,18).
What are the key properties of N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-4-fluorobenzamide?
N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-4-fluorobenzamide has a molecular weight of 295.34 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-4-fluorobenzamide is sourced from PubChem (CID 47365639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).