N-[3-(diethylamino)propyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C15H24N4O2S — CID 90573419

IUPACN-[3-(diethylamino)propyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CSc2nccc(=O)n2C1
InChIInChI=1S/C15H24N4O2S/c1-3-18(4-2)9-5-7-16-14(21)12-10-19-13(20)6-8-17-15(19)22-11-12/h6,8,12H,3-5,7,9-11H2,1-2H3,(H,16,21)
InChIKeySWGUQKIKAOTUAW-UHFFFAOYSA-N
MW324.45 g/mol
LogP0.81
Rot. Bonds7

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

N-[3-(diethylamino)propyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90573419) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90573419
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN-[3-(diethylamino)propyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CSc2nccc(=O)n2C1
InChIInChI=1S/C15H24N4O2S/c1-3-18(4-2)9-5-7-16-14(21)12-10-19-13(20)6-8-17-15(19)22-11-12/h6,8,12H,3-5,7,9-11H2,1-2H3,(H,16,21)
InChIKeySWGUQKIKAOTUAW-UHFFFAOYSA-N
XLogP0.81
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90573419) is N-[3-(diethylamino)propyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CCN(CC)CCCNC(=O)C1CSc2nccc(=O)n2C1.
What is the InChIKey of N-[3-(diethylamino)propyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is SWGUQKIKAOTUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-3-18(4-2)9-5-7-16-14(21)12-10-19-13(20)6-8-17-15(19)22-11-12/h6,8,12H,3-5,7,9-11H2,1-2H3,(H,16,21).
What are the key properties of N-[3-(diethylamino)propyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
N-[3-(diethylamino)propyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90573419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).