2,4,6-trimethyl-N-[5-(2-methylquinazolin-7-yl)-1,3-thiazol-2-yl]oxane-4-carboxamide

C21H24N4O2S — CID 168925677

IUPAC2,4,6-trimethyl-N-[5-(2-methylquinazolin-7-yl)-1,3-thiazol-2-yl]oxane-4-carboxamide
SMILESCc1ncc2ccc(-c3cnc(NC(=O)C4(C)CC(C)OC(C)C4)s3)cc2n1
InChIInChI=1S/C21H24N4O2S/c1-12-8-21(4,9-13(2)27-12)19(26)25-20-23-11-18(28-20)15-5-6-16-10-22-14(3)24-17(16)7-15/h5-7,10-13H,8-9H2,1-4H3,(H,23,25,26)
InChIKeyVZQLDLWXPASLQR-UHFFFAOYSA-N
MW396.52 g/mol
LogP4.59
Rot. Bonds3

About 2,4,6-trimethyl-N-[5-(2-methylquinazolin-7-yl)-1,3-thiazol-2-yl]oxane-4-carboxamide

2,4,6-trimethyl-N-[5-(2-methylquinazolin-7-yl)-1,3-thiazol-2-yl]oxane-4-carboxamide (PubChem CID 168925677) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[5-(2-methylquinazolin-7-yl)-1,3-thiazol-2-yl]oxane-4-carboxamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[5-(2-methylquinazolin-7-yl)-1,3-thiazol-2-yl]oxane-4-carboxamide
PubChem CID168925677
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name2,4,6-trimethyl-N-[5-(2-methylquinazolin-7-yl)-1,3-thiazol-2-yl]oxane-4-carboxamide
SMILESCc1ncc2ccc(-c3cnc(NC(=O)C4(C)CC(C)OC(C)C4)s3)cc2n1
InChIInChI=1S/C21H24N4O2S/c1-12-8-21(4,9-13(2)27-12)19(26)25-20-23-11-18(28-20)15-5-6-16-10-22-14(3)24-17(16)7-15/h5-7,10-13H,8-9H2,1-4H3,(H,23,25,26)
InChIKeyVZQLDLWXPASLQR-UHFFFAOYSA-N
XLogP4.59
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,4,6-trimethyl-N-[5-(2-methylquinazolin-7-yl)-1,3-thiazol-2-yl]oxane-4-carboxamide with MolForge

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Related Compounds

N-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2,4,6-trimethyloxane-4-carboxamide
CID 168925241
2,4,5-trimethyl-N-[5-(2-methylquinazolin-7-yl)-1,3-thiazol-2-yl]oxolane-3-carboxamide
CID 176646516
N-[5-(2-methylquinazolin-7-yl)-1,3-thiazol-2-yl]morpholine-4-carboxamide
CID 168925795
N-[5-(3,4-dimethylcinnolin-6-yl)-1,3-thiazol-2-yl]-2,2,6,6-tetramethyloxane-4-carboxamide
CID 168925197
(3R)-N-[5-(3-chloroisoquinolin-6-yl)-1,3-thiazol-2-yl]oxolane-3-carboxamide
CID 168925210
N-[5-(3-chloroisoquinolin-6-yl)-1,3-thiazol-2-yl]thiane-4-carboxamide
CID 176646521
N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)oxane-4-carboxamide
CID 168925799
N-[3-(2-methylquinazolin-7-yl)phenyl]prop-2-enamide
CID 162528250
N-[5-(3-chloroisoquinolin-6-yl)-1,3-thiazol-2-yl]-1,1-dioxothiane-4-carboxamide
CID 168925382
[4-(2-methylquinazolin-7-yl)phenyl]-piperidin-1-ylmethanone
CID 171697921
2-[7-(2-methyl-1,3-thiazol-5-yl)quinazolin-2-yl]-1-morpholin-4-ylethanone
CID 159565565
N-[5-(3-fluoroisoquinolin-6-yl)-1,3-thiazol-2-yl]formamide;(2R)-2-methyloxane
CID 168925711

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[5-(2-methylquinazolin-7-yl)-1,3-thiazol-2-yl]oxane-4-carboxamide?
The IUPAC name of 2,4,6-trimethyl-N-[5-(2-methylquinazolin-7-yl)-1,3-thiazol-2-yl]oxane-4-carboxamide (CID 168925677) is 2,4,6-trimethyl-N-[5-(2-methylquinazolin-7-yl)-1,3-thiazol-2-yl]oxane-4-carboxamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[5-(2-methylquinazolin-7-yl)-1,3-thiazol-2-yl]oxane-4-carboxamide?
The canonical SMILES for 2,4,6-trimethyl-N-[5-(2-methylquinazolin-7-yl)-1,3-thiazol-2-yl]oxane-4-carboxamide is Cc1ncc2ccc(-c3cnc(NC(=O)C4(C)CC(C)OC(C)C4)s3)cc2n1.
What is the InChIKey of 2,4,6-trimethyl-N-[5-(2-methylquinazolin-7-yl)-1,3-thiazol-2-yl]oxane-4-carboxamide?
The InChIKey is VZQLDLWXPASLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-12-8-21(4,9-13(2)27-12)19(26)25-20-23-11-18(28-20)15-5-6-16-10-22-14(3)24-17(16)7-15/h5-7,10-13H,8-9H2,1-4H3,(H,23,25,26).
What are the key properties of 2,4,6-trimethyl-N-[5-(2-methylquinazolin-7-yl)-1,3-thiazol-2-yl]oxane-4-carboxamide?
2,4,6-trimethyl-N-[5-(2-methylquinazolin-7-yl)-1,3-thiazol-2-yl]oxane-4-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[5-(2-methylquinazolin-7-yl)-1,3-thiazol-2-yl]oxane-4-carboxamide is sourced from PubChem (CID 168925677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).