N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-4-methoxybenzamide

C13H15N3O3S — CID 891782

IUPACN-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C13H15N3O3S/c1-19-10-4-2-9(3-5-10)12(18)15-8-11(17)16-13-14-6-7-20-13/h2-5H,6-8H2,1H3,(H,15,18)(H,14,16,17)
InChIKeyVELLEKMMAOHDOT-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.64
Rot. Bonds4

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

N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-4-methoxybenzamide (PubChem CID 891782) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-4-methoxybenzamide
PubChem CID891782
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C13H15N3O3S/c1-19-10-4-2-9(3-5-10)12(18)15-8-11(17)16-13-14-6-7-20-13/h2-5H,6-8H2,1H3,(H,15,18)(H,14,16,17)
InChIKeyVELLEKMMAOHDOT-UHFFFAOYSA-N
XLogP0.64
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ACETOHYDROXAMIC ACID, 2-(p-METHOXYBENZAMIDO)-
CID 47697
(3-Methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
CID 3413160
Mls000757183
CID 346045
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 821601
N-ethyl-4-methoxybenzamide
CID 81897
N-(4,5-Dihydro-2-thiazolyl)-4-(1-methylethoxy)benzamide
CID 802126
4-methoxy-N-(3-methyl-2-thiazolylidene)benzamide
CID 2082412
(4-methoxyphenyl)(2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)methanone
CID 5024635
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-(3-phenylsulfanylpropylamino)butan-2-yl]benzamide
CID 7999895
N-[1-(cyclopropylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 16288833
[2-(4-Methoxy-benzoylamino)-4-oxo-4H-thiazol-5-ylidene]-acetic acid methyl ester
CID 135408459
(E)-methyl 2-(2-(4-methoxybenzamido)-4-oxothiazol-5(4H)-ylidene)acetate
CID 135486323

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-4-methoxybenzamide (CID 891782) is N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC(=O)NC2=NCCS2)cc1.
What is the InChIKey of N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-4-methoxybenzamide?
The InChIKey is VELLEKMMAOHDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-19-10-4-2-9(3-5-10)12(18)15-8-11(17)16-13-14-6-7-20-13/h2-5H,6-8H2,1H3,(H,15,18)(H,14,16,17).
What are the key properties of N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-4-methoxybenzamide?
N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-4-methoxybenzamide has a molecular weight of 293.35 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-4-methoxybenzamide is sourced from PubChem (CID 891782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).