N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(4-methyl-2-phenyl-1,3-thiazol-5-yl)oxamide

C19H21N5O2S — CID 166313285

IUPACN-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(4-methyl-2-phenyl-1,3-thiazol-5-yl)oxamide
SMILESCc1nc(-c2ccccc2)sc1NC(=O)C(=O)NCCn1cnc(C)c1C
InChIInChI=1S/C19H21N5O2S/c1-12-14(3)24(11-21-12)10-9-20-16(25)17(26)23-18-13(2)22-19(27-18)15-7-5-4-6-8-15/h4-8,11H,9-10H2,1-3H3,(H,20,25)(H,23,26)
InChIKeyIWELADBDUYBVHE-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.69
Rot. Bonds5

About N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(4-methyl-2-phenyl-1,3-thiazol-5-yl)oxamide

N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(4-methyl-2-phenyl-1,3-thiazol-5-yl)oxamide (PubChem CID 166313285) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(4-methyl-2-phenyl-1,3-thiazol-5-yl)oxamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(4-methyl-2-phenyl-1,3-thiazol-5-yl)oxamide
PubChem CID166313285
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(4-methyl-2-phenyl-1,3-thiazol-5-yl)oxamide
SMILESCc1nc(-c2ccccc2)sc1NC(=O)C(=O)NCCn1cnc(C)c1C
InChIInChI=1S/C19H21N5O2S/c1-12-14(3)24(11-21-12)10-9-20-16(25)17(26)23-18-13(2)22-19(27-18)15-7-5-4-6-8-15/h4-8,11H,9-10H2,1-3H3,(H,20,25)(H,23,26)
InChIKeyIWELADBDUYBVHE-UHFFFAOYSA-N
XLogP2.69
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 90515615
methyl 2-[4-[[2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)amino]-2-oxoacetyl]amino]phenyl]acetate
CID 167784789
N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-pyridin-3-ylacetamide
CID 75503297
N'-(2,6-dimethylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
CID 7222838
1-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)urea
CID 166313124
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(1H-indol-7-ylmethyl)oxamide
CID 166314384
N'-(3,5-dimethylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
CID 7222822
N'-(3-methylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
CID 7222821
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]aniline
CID 62565856
N'-(2-cyanophenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
CID 7222824
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 131892436
4-methyl-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 34391804

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(4-methyl-2-phenyl-1,3-thiazol-5-yl)oxamide?
The IUPAC name of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(4-methyl-2-phenyl-1,3-thiazol-5-yl)oxamide (CID 166313285) is N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(4-methyl-2-phenyl-1,3-thiazol-5-yl)oxamide.
What is the SMILES notation for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(4-methyl-2-phenyl-1,3-thiazol-5-yl)oxamide?
The canonical SMILES for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(4-methyl-2-phenyl-1,3-thiazol-5-yl)oxamide is Cc1nc(-c2ccccc2)sc1NC(=O)C(=O)NCCn1cnc(C)c1C.
What is the InChIKey of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(4-methyl-2-phenyl-1,3-thiazol-5-yl)oxamide?
The InChIKey is IWELADBDUYBVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-12-14(3)24(11-21-12)10-9-20-16(25)17(26)23-18-13(2)22-19(27-18)15-7-5-4-6-8-15/h4-8,11H,9-10H2,1-3H3,(H,20,25)(H,23,26).
What are the key properties of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(4-methyl-2-phenyl-1,3-thiazol-5-yl)oxamide?
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(4-methyl-2-phenyl-1,3-thiazol-5-yl)oxamide has a molecular weight of 383.48 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-N'-(4-methyl-2-phenyl-1,3-thiazol-5-yl)oxamide is sourced from PubChem (CID 166313285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).