2-methylpropyl 6-(2-chlorophenyl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

C18H19ClN2O3S — CID 4115999

IUPAC2-methylpropyl 6-(2-chlorophenyl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
SMILESCC(C)COC(=O)C1=CN=C2SCCC(=O)N2C1c1ccccc1Cl
InChIInChI=1S/C18H19ClN2O3S/c1-11(2)10-24-17(23)13-9-20-18-21(15(22)7-8-25-18)16(13)12-5-3-4-6-14(12)19/h3-6,9,11,16H,7-8,10H2,1-2H3
InChIKeySJXSRKPUDBDIFN-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.80
Rot. Bonds4

About 2-methylpropyl 6-(2-chlorophenyl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

2-methylpropyl 6-(2-chlorophenyl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate (PubChem CID 4115999) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-methylpropyl 6-(2-chlorophenyl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 6-(2-chlorophenyl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
PubChem CID4115999
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name2-methylpropyl 6-(2-chlorophenyl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
SMILESCC(C)COC(=O)C1=CN=C2SCCC(=O)N2C1c1ccccc1Cl
InChIInChI=1S/C18H19ClN2O3S/c1-11(2)10-24-17(23)13-9-20-18-21(15(22)7-8-25-18)16(13)12-5-3-4-6-14(12)19/h3-6,9,11,16H,7-8,10H2,1-2H3
InChIKeySJXSRKPUDBDIFN-UHFFFAOYSA-N
XLogP3.80
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methylpropyl 6-(2-chlorophenyl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 6-(2-chlorophenyl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate?
The IUPAC name of 2-methylpropyl 6-(2-chlorophenyl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate (CID 4115999) is 2-methylpropyl 6-(2-chlorophenyl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate.
What is the SMILES notation for 2-methylpropyl 6-(2-chlorophenyl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate?
The canonical SMILES for 2-methylpropyl 6-(2-chlorophenyl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate is CC(C)COC(=O)C1=CN=C2SCCC(=O)N2C1c1ccccc1Cl.
What is the InChIKey of 2-methylpropyl 6-(2-chlorophenyl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate?
The InChIKey is SJXSRKPUDBDIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-11(2)10-24-17(23)13-9-20-18-21(15(22)7-8-25-18)16(13)12-5-3-4-6-14(12)19/h3-6,9,11,16H,7-8,10H2,1-2H3.
What are the key properties of 2-methylpropyl 6-(2-chlorophenyl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate?
2-methylpropyl 6-(2-chlorophenyl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate has a molecular weight of 378.88 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 6-(2-chlorophenyl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate is sourced from PubChem (CID 4115999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).