N-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2,4,6-trimethyloxane-4-carboxamide

C20H22N4O2S — CID 168925241

IUPACN-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2,4,6-trimethyloxane-4-carboxamide
SMILESCC1CC(C)(C(=O)Nc2ncc(-c3ccc4nnccc4c3)s2)CC(C)O1
InChIInChI=1S/C20H22N4O2S/c1-12-9-20(3,10-13(2)26-12)18(25)23-19-21-11-17(27-19)15-4-5-16-14(8-15)6-7-22-24-16/h4-8,11-13H,9-10H2,1-3H3,(H,21,23,25)
InChIKeyQMWXQMSWKZCZCD-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.29
Rot. Bonds3

About N-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2,4,6-trimethyloxane-4-carboxamide

N-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2,4,6-trimethyloxane-4-carboxamide (PubChem CID 168925241) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2,4,6-trimethyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2,4,6-trimethyloxane-4-carboxamide
PubChem CID168925241
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2,4,6-trimethyloxane-4-carboxamide
SMILESCC1CC(C)(C(=O)Nc2ncc(-c3ccc4nnccc4c3)s2)CC(C)O1
InChIInChI=1S/C20H22N4O2S/c1-12-9-20(3,10-13(2)26-12)18(25)23-19-21-11-17(27-19)15-4-5-16-14(8-15)6-7-22-24-16/h4-8,11-13H,9-10H2,1-3H3,(H,21,23,25)
InChIKeyQMWXQMSWKZCZCD-UHFFFAOYSA-N
XLogP4.29
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4,6-trimethyl-N-[5-(2-methylquinazolin-7-yl)-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 168925677
N-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide
CID 176646504
N-[5-(3,4-dimethylcinnolin-6-yl)-1,3-thiazol-2-yl]-2,2,6,6-tetramethyloxane-4-carboxamide
CID 168925197
N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)oxane-4-carboxamide
CID 168925799
1-methyl-N-[5-(1,7-naphthyridin-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 168925803
N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)quinoline-3-carboxamide
CID 168925353
2,4,5-trimethyl-N-[5-(2-methylquinazolin-7-yl)-1,3-thiazol-2-yl]oxolane-3-carboxamide
CID 176646516
(3R)-N-[5-(3-chloroisoquinolin-6-yl)-1,3-thiazol-2-yl]oxolane-3-carboxamide
CID 168925210
2,2-dimethyl-N-(5-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 159721242
N-[5-(3-chloroisoquinolin-6-yl)-1,3-thiazol-2-yl]thiane-4-carboxamide
CID 176646521
N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 10125249
N-[5-(3-chloroisoquinolin-6-yl)-1,3-thiazol-2-yl]-1,1-dioxothiane-4-carboxamide
CID 168925382

Frequently Asked Questions

What is the IUPAC name of N-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2,4,6-trimethyloxane-4-carboxamide?
The IUPAC name of N-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2,4,6-trimethyloxane-4-carboxamide (CID 168925241) is N-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2,4,6-trimethyloxane-4-carboxamide.
What is the SMILES notation for N-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2,4,6-trimethyloxane-4-carboxamide?
The canonical SMILES for N-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2,4,6-trimethyloxane-4-carboxamide is CC1CC(C)(C(=O)Nc2ncc(-c3ccc4nnccc4c3)s2)CC(C)O1.
What is the InChIKey of N-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2,4,6-trimethyloxane-4-carboxamide?
The InChIKey is QMWXQMSWKZCZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-12-9-20(3,10-13(2)26-12)18(25)23-19-21-11-17(27-19)15-4-5-16-14(8-15)6-7-22-24-16/h4-8,11-13H,9-10H2,1-3H3,(H,21,23,25).
What are the key properties of N-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2,4,6-trimethyloxane-4-carboxamide?
N-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2,4,6-trimethyloxane-4-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2,4,6-trimethyloxane-4-carboxamide is sourced from PubChem (CID 168925241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).