N-benzyl-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C16H17N3O2S — CID 90573352

IUPACN-benzyl-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CSc2nccc(=O)n2C1
InChIInChI=1S/C16H17N3O2S/c1-18(9-12-5-3-2-4-6-12)15(21)13-10-19-14(20)7-8-17-16(19)22-11-13/h2-8,13H,9-11H2,1H3
InChIKeyDIORVUHOSIWRSS-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.62
Rot. Bonds3

About N-benzyl-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

N-benzyl-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90573352) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-benzyl-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90573352
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-benzyl-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CSc2nccc(=O)n2C1
InChIInChI=1S/C16H17N3O2S/c1-18(9-12-5-3-2-4-6-12)15(21)13-10-19-14(20)7-8-17-16(19)22-11-13/h2-8,13H,9-11H2,1H3
InChIKeyDIORVUHOSIWRSS-UHFFFAOYSA-N
XLogP1.62
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of N-benzyl-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90573352) is N-benzyl-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CN(Cc1ccccc1)C(=O)C1CSc2nccc(=O)n2C1.
What is the InChIKey of N-benzyl-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is DIORVUHOSIWRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-18(9-12-5-3-2-4-6-12)15(21)13-10-19-14(20)7-8-17-16(19)22-11-13/h2-8,13H,9-11H2,1H3.
What are the key properties of N-benzyl-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
N-benzyl-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90573352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).