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

C13H15N3O2S — CID 3246749

IUPACN-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)NC1=NCCS1
InChIInChI=1S/C13H15N3O2S/c1-9(11(17)16-13-14-7-8-19-13)15-12(18)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,18)(H,14,16,17)
InChIKeyAOIIQDKYQIHDEZ-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.02
Rot. Bonds3

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

N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 3246749) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide
PubChem CID3246749
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)NC1=NCCS1
InChIInChI=1S/C13H15N3O2S/c1-9(11(17)16-13-14-7-8-19-13)15-12(18)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,18)(H,14,16,17)
InChIKeyAOIIQDKYQIHDEZ-UHFFFAOYSA-N
XLogP1.02
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide
CID 745467
N-(5,6-dihydro-4H-1,3-thiazin-2-yl)benzamide
CID 102046322
(2S)-2-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide
CID 99864673
N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
CID 42909871
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 68732786
N-[(2S)-1-[2-[[(2S)-2-benzamidopropanoyl]amino]ethylamino]-1-oxopropan-2-yl]benzamide
CID 71491153
N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]benzamide
CID 673653
N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 2124977
2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide
CID 43008937
N-[1-(2-chloroanilino)-1-oxopropan-2-yl]benzamide
CID 46756229
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide
CID 4801992
N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide
CID 94825571

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide (CID 3246749) is N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccccc1)C(=O)NC1=NCCS1.
What is the InChIKey of N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is AOIIQDKYQIHDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9(11(17)16-13-14-7-8-19-13)15-12(18)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,18)(H,14,16,17).
What are the key properties of N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide?
N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 277.35 g/mol, XLogP of 1.02, 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]benzamide is sourced from PubChem (CID 3246749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).