8-tert-butyl-N-(2-methylquinolin-5-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C22H24N4O2S — CID 90572954

IUPAC8-tert-butyl-N-(2-methylquinolin-5-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCc1ccc2c(NC(=O)C3CSc4nc(C(C)(C)C)cc(=O)n4C3)cccc2n1
InChIInChI=1S/C22H24N4O2S/c1-13-8-9-15-16(23-13)6-5-7-17(15)24-20(28)14-11-26-19(27)10-18(22(2,3)4)25-21(26)29-12-14/h5-10,14H,11-12H2,1-4H3,(H,24,28)
InChIKeyKBCWBLHTQFWLTP-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.76
Rot. Bonds2

About 8-tert-butyl-N-(2-methylquinolin-5-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

8-tert-butyl-N-(2-methylquinolin-5-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572954) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is 8-tert-butyl-N-(2-methylquinolin-5-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name8-tert-butyl-N-(2-methylquinolin-5-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572954
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name8-tert-butyl-N-(2-methylquinolin-5-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCc1ccc2c(NC(=O)C3CSc4nc(C(C)(C)C)cc(=O)n4C3)cccc2n1
InChIInChI=1S/C22H24N4O2S/c1-13-8-9-15-16(23-13)6-5-7-17(15)24-20(28)14-11-26-19(27)10-18(22(2,3)4)25-21(26)29-12-14/h5-10,14H,11-12H2,1-4H3,(H,24,28)
InChIKeyKBCWBLHTQFWLTP-UHFFFAOYSA-N
XLogP3.76
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,1,3-benzothiadiazol-4-yl)-8-tert-butyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572650
8-tert-butyl-N-(4-methylpyrimidin-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572879
8-tert-butyl-N-(2,5-dichlorophenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572837
8-tert-butyl-6-oxo-N-pyridin-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572873
N-benzyl-8-tert-butyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572748
N-(4-acetylphenyl)-8-tert-butyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572816
(3S)-8-tert-butyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 97041350
8-tert-butyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572863
8-tert-butyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572886
8-tert-butyl-6-oxo-N-(2-oxothiolan-3-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572934
N-(2-methylquinolin-5-yl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513237
8-tert-butyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572977

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-N-(2-methylquinolin-5-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 8-tert-butyl-N-(2-methylquinolin-5-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572954) is 8-tert-butyl-N-(2-methylquinolin-5-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for 8-tert-butyl-N-(2-methylquinolin-5-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 8-tert-butyl-N-(2-methylquinolin-5-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is Cc1ccc2c(NC(=O)C3CSc4nc(C(C)(C)C)cc(=O)n4C3)cccc2n1.
What is the InChIKey of 8-tert-butyl-N-(2-methylquinolin-5-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is KBCWBLHTQFWLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-13-8-9-15-16(23-13)6-5-7-17(15)24-20(28)14-11-26-19(27)10-18(22(2,3)4)25-21(26)29-12-14/h5-10,14H,11-12H2,1-4H3,(H,24,28).
What are the key properties of 8-tert-butyl-N-(2-methylquinolin-5-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
8-tert-butyl-N-(2-methylquinolin-5-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-N-(2-methylquinolin-5-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).