N-[5-(3,4-dimethylcinnolin-6-yl)-1,3-thiazol-2-yl]-2,2,6,6-tetramethyloxane-4-carboxamide

C23H28N4O2S — CID 168925197

IUPACN-[5-(3,4-dimethylcinnolin-6-yl)-1,3-thiazol-2-yl]-2,2,6,6-tetramethyloxane-4-carboxamide
SMILESCc1nnc2ccc(-c3cnc(NC(=O)C4CC(C)(C)OC(C)(C)C4)s3)cc2c1C
InChIInChI=1S/C23H28N4O2S/c1-13-14(2)26-27-18-8-7-15(9-17(13)18)19-12-24-21(30-19)25-20(28)16-10-22(3,4)29-23(5,6)11-16/h7-9,12,16H,10-11H2,1-6H3,(H,24,25,28)
InChIKeyOCJUXOYPURTGFB-UHFFFAOYSA-N
MW424.57 g/mol
LogP5.29
Rot. Bonds3

About N-[5-(3,4-dimethylcinnolin-6-yl)-1,3-thiazol-2-yl]-2,2,6,6-tetramethyloxane-4-carboxamide

N-[5-(3,4-dimethylcinnolin-6-yl)-1,3-thiazol-2-yl]-2,2,6,6-tetramethyloxane-4-carboxamide (PubChem CID 168925197) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[5-(3,4-dimethylcinnolin-6-yl)-1,3-thiazol-2-yl]-2,2,6,6-tetramethyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethylcinnolin-6-yl)-1,3-thiazol-2-yl]-2,2,6,6-tetramethyloxane-4-carboxamide
PubChem CID168925197
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC NameN-[5-(3,4-dimethylcinnolin-6-yl)-1,3-thiazol-2-yl]-2,2,6,6-tetramethyloxane-4-carboxamide
SMILESCc1nnc2ccc(-c3cnc(NC(=O)C4CC(C)(C)OC(C)(C)C4)s3)cc2c1C
InChIInChI=1S/C23H28N4O2S/c1-13-14(2)26-27-18-8-7-15(9-17(13)18)19-12-24-21(30-19)25-20(28)16-10-22(3,4)29-23(5,6)11-16/h7-9,12,16H,10-11H2,1-6H3,(H,24,25,28)
InChIKeyOCJUXOYPURTGFB-UHFFFAOYSA-N
XLogP5.29
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.57
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-(3,4-dimethylcinnolin-6-yl)-1,3-thiazol-2-yl]-2,2,6,6-tetramethyloxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2,4,6-trimethyloxane-4-carboxamide
CID 168925241
2,4,6-trimethyl-N-[5-(2-methylquinazolin-7-yl)-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 168925677
1-cyano-N-[5-(3-methyl-2H-indazol-5-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 118980994
N-[5-(4-cyano-3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]-5,8-dioxaspiro[3.4]octane-2-carboxamide
CID 168925488
N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 10125249
1-cyclopropyl-N-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 167847958
N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)oxane-4-carboxamide
CID 168925799
N-[5-(4-cyano-3-propan-2-ylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 168925758
N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87405192
(3R)-N-[5-(3-chloroisoquinolin-6-yl)-1,3-thiazol-2-yl]oxolane-3-carboxamide
CID 168925210
(2S,3S)-N-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-1,4-dioxane-2-carboxamide
CID 138023538
2,4,5-trimethyl-N-[5-(2-methylquinazolin-7-yl)-1,3-thiazol-2-yl]oxolane-3-carboxamide
CID 176646516

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethylcinnolin-6-yl)-1,3-thiazol-2-yl]-2,2,6,6-tetramethyloxane-4-carboxamide?
The IUPAC name of N-[5-(3,4-dimethylcinnolin-6-yl)-1,3-thiazol-2-yl]-2,2,6,6-tetramethyloxane-4-carboxamide (CID 168925197) is N-[5-(3,4-dimethylcinnolin-6-yl)-1,3-thiazol-2-yl]-2,2,6,6-tetramethyloxane-4-carboxamide.
What is the SMILES notation for N-[5-(3,4-dimethylcinnolin-6-yl)-1,3-thiazol-2-yl]-2,2,6,6-tetramethyloxane-4-carboxamide?
The canonical SMILES for N-[5-(3,4-dimethylcinnolin-6-yl)-1,3-thiazol-2-yl]-2,2,6,6-tetramethyloxane-4-carboxamide is Cc1nnc2ccc(-c3cnc(NC(=O)C4CC(C)(C)OC(C)(C)C4)s3)cc2c1C.
What is the InChIKey of N-[5-(3,4-dimethylcinnolin-6-yl)-1,3-thiazol-2-yl]-2,2,6,6-tetramethyloxane-4-carboxamide?
The InChIKey is OCJUXOYPURTGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-13-14(2)26-27-18-8-7-15(9-17(13)18)19-12-24-21(30-19)25-20(28)16-10-22(3,4)29-23(5,6)11-16/h7-9,12,16H,10-11H2,1-6H3,(H,24,25,28).
What are the key properties of N-[5-(3,4-dimethylcinnolin-6-yl)-1,3-thiazol-2-yl]-2,2,6,6-tetramethyloxane-4-carboxamide?
N-[5-(3,4-dimethylcinnolin-6-yl)-1,3-thiazol-2-yl]-2,2,6,6-tetramethyloxane-4-carboxamide has a molecular weight of 424.57 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dimethylcinnolin-6-yl)-1,3-thiazol-2-yl]-2,2,6,6-tetramethyloxane-4-carboxamide is sourced from PubChem (CID 168925197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).