N-(2-amino-2-oxoethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C11H14N4O3S — CID 90572584

IUPACN-(2-amino-2-oxoethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCc1cnc2n(c1=O)CC(C(=O)NCC(N)=O)CS2
InChIInChI=1S/C11H14N4O3S/c1-6-2-14-11-15(10(6)18)4-7(5-19-11)9(17)13-3-8(12)16/h2,7H,3-5H2,1H3,(H2,12,16)(H,13,17)
InChIKeyGUFYVJZNQCDING-UHFFFAOYSA-N
MW282.32 g/mol
LogP-1.12
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

N-(2-amino-2-oxoethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572584) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572584
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC NameN-(2-amino-2-oxoethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCc1cnc2n(c1=O)CC(C(=O)NCC(N)=O)CS2
InChIInChI=1S/C11H14N4O3S/c1-6-2-14-11-15(10(6)18)4-7(5-19-11)9(17)13-3-8(12)16/h2,7H,3-5H2,1H3,(H2,12,16)(H,13,17)
InChIKeyGUFYVJZNQCDING-UHFFFAOYSA-N
XLogP-1.12
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-cyclopropyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 97041319
(3R)-7-methyl-6-oxo-N-[(4-sulfamoylphenyl)methyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 97105468
N-(3,5-dimethylphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572518
N-[(2,4-difluorophenyl)methyl]-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572612
(3R)-N-[(2S)-1-methoxypropan-2-yl]-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 97041257
N,N-diethyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572326
N-(3-chloro-2-methylphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572524
(3R)-N-(2,5-difluorophenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 97041302
N-(2-methoxyphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572476
N-methoxy-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572631
7-methyl-6-oxo-N-quinolin-8-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 71802306
N,N-dibenzyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572346

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572584) is N-(2-amino-2-oxoethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is Cc1cnc2n(c1=O)CC(C(=O)NCC(N)=O)CS2.
What is the InChIKey of N-(2-amino-2-oxoethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is GUFYVJZNQCDING-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-6-2-14-11-15(10(6)18)4-7(5-19-11)9(17)13-3-8(12)16/h2,7H,3-5H2,1H3,(H2,12,16)(H,13,17).
What are the key properties of N-(2-amino-2-oxoethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
N-(2-amino-2-oxoethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 282.32 g/mol, XLogP of -1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).