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

C13H14FN3O2S — CID 745467

IUPACN-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide
SMILESC[C@H](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)/t8-/m0/s1
InChIKeyRQGGACXOQBZXHT-QMMMGPOBSA-N
MW295.34 g/mol
LogP1.16
Rot. Bonds3

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

N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide (PubChem CID 745467) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide
PubChem CID745467
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC NameN-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide
SMILESC[C@H](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)/t8-/m0/s1
InChIKeyRQGGACXOQBZXHT-QMMMGPOBSA-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

Analyze N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-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-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide
CID 3246749
1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 4066059
N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-4-fluorobenzamide
CID 47365639
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 4788887
4-(difluoromethylsulfanyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 51326128
N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 2124977
N-(4,5-dihydro-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 2110722
2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide
CID 43008937
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide
CID 51106672
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 2960893
N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 6723590
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(ethylsulfanylmethyl)benzamide
CID 47299837

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide (CID 745467) is N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide is C[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC1=NCCS1.
What is the InChIKey of N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide?
The InChIKey is RQGGACXOQBZXHT-QMMMGPOBSA-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)/t8-/m0/s1.
What are the key properties of N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide?
N-[(2S)-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-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 745467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).