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

C18H23N3O2S — CID 56803375

IUPACN'-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NC(C)c2nc(C(C)(C)C)cs2)c1
InChIInChI=1S/C18H23N3O2S/c1-11-7-6-8-13(9-11)20-16(23)15(22)19-12(2)17-21-14(10-24-17)18(3,4)5/h6-10,12H,1-5H3,(H,19,22)(H,20,23)
InChIKeyXVFIOLHQAWDSFT-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.56
Rot. Bonds3

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

N'-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(3-methylphenyl)oxamide (PubChem CID 56803375) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N'-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(3-methylphenyl)oxamide
PubChem CID56803375
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN'-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NC(C)c2nc(C(C)(C)C)cs2)c1
InChIInChI=1S/C18H23N3O2S/c1-11-7-6-8-13(9-11)20-16(23)15(22)19-12(2)17-21-14(10-24-17)18(3,4)5/h6-10,12H,1-5H3,(H,19,22)(H,20,23)
InChIKeyXVFIOLHQAWDSFT-UHFFFAOYSA-N
XLogP3.56
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.56
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'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-pyridin-3-yloxamide
CID 95615037
N'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 95317793
N'-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-(3-methylphenyl)oxamide
CID 71888750
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide
CID 3372647
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]propan-2-amine
CID 61333653
3-amino-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119879489
N'-(1-methoxypropan-2-yl)-N-(3-methylphenyl)oxamide
CID 44996313
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 56782264
1-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(4-oxo-3H-quinazolin-6-yl)urea
CID 166280880
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclopentanecarboxamide
CID 56782260
N'-[(1R)-1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 7201553
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 146125452

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(3-methylphenyl)oxamide?
The IUPAC name of N'-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(3-methylphenyl)oxamide (CID 56803375) is N'-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(3-methylphenyl)oxamide.
What is the SMILES notation for N'-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(3-methylphenyl)oxamide?
The canonical SMILES for N'-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(3-methylphenyl)oxamide is Cc1cccc(NC(=O)C(=O)NC(C)c2nc(C(C)(C)C)cs2)c1.
What is the InChIKey of N'-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(3-methylphenyl)oxamide?
The InChIKey is XVFIOLHQAWDSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-11-7-6-8-13(9-11)20-16(23)15(22)19-12(2)17-21-14(10-24-17)18(3,4)5/h6-10,12H,1-5H3,(H,19,22)(H,20,23).
What are the key properties of N'-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(3-methylphenyl)oxamide?
N'-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(3-methylphenyl)oxamide has a molecular weight of 345.47 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-(3-methylphenyl)oxamide is sourced from PubChem (CID 56803375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).