N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(3-methylphenyl)oxamide

C16H19N3O2S — CID 71888750

IUPACN'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NC(C)c2sc(C)nc2C)c1
InChIInChI=1S/C16H19N3O2S/c1-9-6-5-7-13(8-9)19-16(21)15(20)18-11(3)14-10(2)17-12(4)22-14/h5-8,11H,1-4H3,(H,18,20)(H,19,21)
InChIKeyZUZFSHZAAXRLAL-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.88
Rot. Bonds3

About N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(3-methylphenyl)oxamide

N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(3-methylphenyl)oxamide (PubChem CID 71888750) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(3-methylphenyl)oxamide
PubChem CID71888750
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NC(C)c2sc(C)nc2C)c1
InChIInChI=1S/C16H19N3O2S/c1-9-6-5-7-13(8-9)19-16(21)15(20)18-11(3)14-10(2)17-12(4)22-14/h5-8,11H,1-4H3,(H,18,20)(H,19,21)
InChIKeyZUZFSHZAAXRLAL-UHFFFAOYSA-N
XLogP2.88
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-N'-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxamide
CID 95354576
N'-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(3-methylphenyl)oxamide
CID 56803375
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide
CID 47317319
1-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 94652870
N'-(1-methoxypropan-2-yl)-N-(3-methylphenyl)oxamide
CID 44996313
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(propanoylamino)benzamide
CID 95614599
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(methylamino)benzamide
CID 62174107
N-(3-hydroxyphenyl)-N'-(3-methylphenyl)oxamide
CID 10445826
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 94033085
ethyl (3S)-3-[[2-(3-methylanilino)-2-oxoacetyl]amino]butanoate
CID 97334636
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 110470867
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-ethylbenzamide
CID 63751777

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(3-methylphenyl)oxamide?
The IUPAC name of N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(3-methylphenyl)oxamide (CID 71888750) is N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(3-methylphenyl)oxamide.
What is the SMILES notation for N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(3-methylphenyl)oxamide?
The canonical SMILES for N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(3-methylphenyl)oxamide is Cc1cccc(NC(=O)C(=O)NC(C)c2sc(C)nc2C)c1.
What is the InChIKey of N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(3-methylphenyl)oxamide?
The InChIKey is ZUZFSHZAAXRLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-9-6-5-7-13(8-9)19-16(21)15(20)18-11(3)14-10(2)17-12(4)22-14/h5-8,11H,1-4H3,(H,18,20)(H,19,21).
What are the key properties of N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(3-methylphenyl)oxamide?
N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(3-methylphenyl)oxamide has a molecular weight of 317.41 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(3-methylphenyl)oxamide is sourced from PubChem (CID 71888750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).