N,N-dibenzyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C23H23N3O2S — CID 90572346

IUPACN,N-dibenzyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCc1cnc2n(c1=O)CC(C(=O)N(Cc1ccccc1)Cc1ccccc1)CS2
InChIInChI=1S/C23H23N3O2S/c1-17-12-24-23-26(21(17)27)15-20(16-29-23)22(28)25(13-18-8-4-2-5-9-18)14-19-10-6-3-7-11-19/h2-12,20H,13-16H2,1H3
InChIKeyFNYQRJOWWWJAFT-UHFFFAOYSA-N
MW405.52 g/mol
LogP3.50
Rot. Bonds5

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

N,N-dibenzyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572346) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N,N-dibenzyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound NameN,N-dibenzyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572346
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC NameN,N-dibenzyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCc1cnc2n(c1=O)CC(C(=O)N(Cc1ccccc1)Cc1ccccc1)CS2
InChIInChI=1S/C23H23N3O2S/c1-17-12-24-23-26(21(17)27)15-20(16-29-23)22(28)25(13-18-8-4-2-5-9-18)14-19-10-6-3-7-11-19/h2-12,20H,13-16H2,1H3
InChIKeyFNYQRJOWWWJAFT-UHFFFAOYSA-N
XLogP3.50
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of N,N-dibenzyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572346) is N,N-dibenzyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for N,N-dibenzyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for N,N-dibenzyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is Cc1cnc2n(c1=O)CC(C(=O)N(Cc1ccccc1)Cc1ccccc1)CS2.
What is the InChIKey of N,N-dibenzyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is FNYQRJOWWWJAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-17-12-24-23-26(21(17)27)15-20(16-29-23)22(28)25(13-18-8-4-2-5-9-18)14-19-10-6-3-7-11-19/h2-12,20H,13-16H2,1H3.
What are the key properties of N,N-dibenzyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
N,N-dibenzyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).