N-(5-acetamido-2-methoxyphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C18H20N4O4S — CID 90572537

IUPACN-(5-acetamido-2-methoxyphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)C1CSc2ncc(C)c(=O)n2C1
InChIInChI=1S/C18H20N4O4S/c1-10-7-19-18-22(17(10)25)8-12(9-27-18)16(24)21-14-6-13(20-11(2)23)4-5-15(14)26-3/h4-7,12H,8-9H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyGXHSRVADBLSAFR-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.88
Rot. Bonds4

About N-(5-acetamido-2-methoxyphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

N-(5-acetamido-2-methoxyphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572537) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572537
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)C1CSc2ncc(C)c(=O)n2C1
InChIInChI=1S/C18H20N4O4S/c1-10-7-19-18-22(17(10)25)8-12(9-27-18)16(24)21-14-6-13(20-11(2)23)4-5-15(14)26-3/h4-7,12H,8-9H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyGXHSRVADBLSAFR-UHFFFAOYSA-N
XLogP1.88
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572476
N-(3-hydroxyphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572474
N-(3-chloro-2-methylphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572524
N-[2-chloro-5-(trifluoromethyl)phenyl]-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572532
N-(2,1,3-benzothiadiazol-4-yl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572322
N-methoxy-N,7-dimethyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572631
(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
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 90572315
N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513267
N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide
CID 43004509
6-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573614
N-[(2,4-difluorophenyl)methyl]-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572612

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572537) is N-(5-acetamido-2-methoxyphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)C1CSc2ncc(C)c(=O)n2C1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is GXHSRVADBLSAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-10-7-19-18-22(17(10)25)8-12(9-27-18)16(24)21-14-6-13(20-11(2)23)4-5-15(14)26-3/h4-7,12H,8-9H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
N-(5-acetamido-2-methoxyphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).