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

C16H17N3O2S2 — CID 71802277

IUPAC7-methyl-N-(2-methylsulfanylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCSc1ccccc1NC(=O)C1CSc2ncc(C)c(=O)n2C1
InChIInChI=1S/C16H17N3O2S2/c1-10-7-17-16-19(15(10)21)8-11(9-23-16)14(20)18-12-5-3-4-6-13(12)22-2/h3-7,11H,8-9H2,1-2H3,(H,18,20)
InChIKeyALBJENUFBITEOI-UHFFFAOYSA-N
MW347.47 g/mol
LogP2.63
Rot. Bonds3

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

7-methyl-N-(2-methylsulfanylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 71802277) has the molecular formula C16H17N3O2S2 and a molecular weight of 347.47 g/mol. Its IUPAC name is 7-methyl-N-(2-methylsulfanylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(2-methylsulfanylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID71802277
Molecular FormulaC16H17N3O2S2
Molecular Weight347.47 g/mol
Exact Mass347.08
IUPAC Name7-methyl-N-(2-methylsulfanylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCSc1ccccc1NC(=O)C1CSc2ncc(C)c(=O)n2C1
InChIInChI=1S/C16H17N3O2S2/c1-10-7-17-16-19(15(10)21)8-11(9-23-16)14(20)18-12-5-3-4-6-13(12)22-2/h3-7,11H,8-9H2,1-2H3,(H,18,20)
InChIKeyALBJENUFBITEOI-UHFFFAOYSA-N
XLogP2.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-methylsulfanylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 7-methyl-N-(2-methylsulfanylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 71802277) is 7-methyl-N-(2-methylsulfanylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for 7-methyl-N-(2-methylsulfanylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 7-methyl-N-(2-methylsulfanylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CSc1ccccc1NC(=O)C1CSc2ncc(C)c(=O)n2C1.
What is the InChIKey of 7-methyl-N-(2-methylsulfanylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is ALBJENUFBITEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S2/c1-10-7-17-16-19(15(10)21)8-11(9-23-16)14(20)18-12-5-3-4-6-13(12)22-2/h3-7,11H,8-9H2,1-2H3,(H,18,20).
What are the key properties of 7-methyl-N-(2-methylsulfanylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
7-methyl-N-(2-methylsulfanylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 347.47 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-methylsulfanylphenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 71802277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).