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

C16H21N5O3S — CID 90572977

IUPAC8-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
SMILESCc1noc(CNC(=O)C2CSc3nc(C(C)(C)C)cc(=O)n3C2)n1
InChIInChI=1S/C16H21N5O3S/c1-9-18-12(24-20-9)6-17-14(23)10-7-21-13(22)5-11(16(2,3)4)19-15(21)25-8-10/h5,10H,6-8H2,1-4H3,(H,17,23)
InChIKeyWBCSQKKZTONAKI-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.27
Rot. Bonds3

About 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

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 (PubChem CID 90572977) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-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
PubChem CID90572977
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC Name8-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
SMILESCc1noc(CNC(=O)C2CSc3nc(C(C)(C)C)cc(=O)n3C2)n1
InChIInChI=1S/C16H21N5O3S/c1-9-18-12(24-20-9)6-17-14(23)10-7-21-13(22)5-11(16(2,3)4)19-15(21)25-8-10/h5,10H,6-8H2,1-4H3,(H,17,23)
InChIKeyWBCSQKKZTONAKI-UHFFFAOYSA-N
XLogP1.27
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-benzyl-8-tert-butyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572748
8-tert-butyl-6-oxo-N-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572765
N-(1,3-benzodioxol-5-ylmethyl)-8-tert-butyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572753
(3R)-N-(1H-benzimidazol-2-ylmethyl)-8-tert-butyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 97105497
(3S)-8-tert-butyl-N-[2-(4-fluorophenoxy)ethyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 97105500
(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
(3S)-8-tert-butyl-N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 97041336
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-6-oxo-N-(2-oxothiolan-3-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572934
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-(3-bromophenyl)-8-tert-butyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 71802332
8-tert-butyl-3-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 90572692

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1noc(CNC(=O)C2CSc3nc(C(C)(C)C)cc(=O)n3C2)n1.
What is the InChIKey of 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?
The InChIKey is WBCSQKKZTONAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-9-18-12(24-20-9)6-17-14(23)10-7-21-13(22)5-11(16(2,3)4)19-15(21)25-8-10/h5,10H,6-8H2,1-4H3,(H,17,23).
What are the key properties of 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?
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 has a molecular weight of 363.44 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90572977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).