ethyl 8-methyl-6-(3-methylthiophen-2-yl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

C16H18N2O3S2 — CID 660234

IUPACethyl 8-methyl-6-(3-methylthiophen-2-yl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
SMILESCCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1sccc1C
InChIInChI=1S/C16H18N2O3S2/c1-4-21-15(20)12-10(3)17-16-18(11(19)6-8-23-16)13(12)14-9(2)5-7-22-14/h5,7,13H,4,6,8H2,1-3H3
InChIKeyYMVAKWSISAHGDV-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.27
Rot. Bonds3

About ethyl 8-methyl-6-(3-methylthiophen-2-yl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

ethyl 8-methyl-6-(3-methylthiophen-2-yl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate (PubChem CID 660234) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is ethyl 8-methyl-6-(3-methylthiophen-2-yl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate.

Molecular Properties

Compound Nameethyl 8-methyl-6-(3-methylthiophen-2-yl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
PubChem CID660234
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC Nameethyl 8-methyl-6-(3-methylthiophen-2-yl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
SMILESCCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1sccc1C
InChIInChI=1S/C16H18N2O3S2/c1-4-21-15(20)12-10(3)17-16-18(11(19)6-8-23-16)13(12)14-9(2)5-7-22-14/h5,7,13H,4,6,8H2,1-3H3
InChIKeyYMVAKWSISAHGDV-UHFFFAOYSA-N
XLogP3.27
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-methyl-6-(3-methylthiophen-2-yl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate?
The IUPAC name of ethyl 8-methyl-6-(3-methylthiophen-2-yl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate (CID 660234) is ethyl 8-methyl-6-(3-methylthiophen-2-yl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate.
What is the SMILES notation for ethyl 8-methyl-6-(3-methylthiophen-2-yl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate?
The canonical SMILES for ethyl 8-methyl-6-(3-methylthiophen-2-yl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate is CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1sccc1C.
What is the InChIKey of ethyl 8-methyl-6-(3-methylthiophen-2-yl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate?
The InChIKey is YMVAKWSISAHGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-4-21-15(20)12-10(3)17-16-18(11(19)6-8-23-16)13(12)14-9(2)5-7-22-14/h5,7,13H,4,6,8H2,1-3H3.
What are the key properties of ethyl 8-methyl-6-(3-methylthiophen-2-yl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate?
ethyl 8-methyl-6-(3-methylthiophen-2-yl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate has a molecular weight of 350.47 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methyl-6-(3-methylthiophen-2-yl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate is sourced from PubChem (CID 660234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).