7-ethyl-N,N-bis(2-methoxyethyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C17H27N3O4S — CID 90573008

IUPAC7-ethyl-N,N-bis(2-methoxyethyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCc1c(C)nc2n(c1=O)CC(C(=O)N(CCOC)CCOC)CS2
InChIInChI=1S/C17H27N3O4S/c1-5-14-12(2)18-17-20(16(14)22)10-13(11-25-17)15(21)19(6-8-23-3)7-9-24-4/h13H,5-11H2,1-4H3
InChIKeyLFMQIWNTFZKCOT-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.96
Rot. Bonds8

About 7-ethyl-N,N-bis(2-methoxyethyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

7-ethyl-N,N-bis(2-methoxyethyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90573008) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 7-ethyl-N,N-bis(2-methoxyethyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name7-ethyl-N,N-bis(2-methoxyethyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90573008
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name7-ethyl-N,N-bis(2-methoxyethyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCCc1c(C)nc2n(c1=O)CC(C(=O)N(CCOC)CCOC)CS2
InChIInChI=1S/C17H27N3O4S/c1-5-14-12(2)18-17-20(16(14)22)10-13(11-25-17)15(21)19(6-8-23-3)7-9-24-4/h13H,5-11H2,1-4H3
InChIKeyLFMQIWNTFZKCOT-UHFFFAOYSA-N
XLogP0.96
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N,N-bis(2-methoxyethyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 7-ethyl-N,N-bis(2-methoxyethyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90573008) is 7-ethyl-N,N-bis(2-methoxyethyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for 7-ethyl-N,N-bis(2-methoxyethyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 7-ethyl-N,N-bis(2-methoxyethyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is CCc1c(C)nc2n(c1=O)CC(C(=O)N(CCOC)CCOC)CS2.
What is the InChIKey of 7-ethyl-N,N-bis(2-methoxyethyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is LFMQIWNTFZKCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-5-14-12(2)18-17-20(16(14)22)10-13(11-25-17)15(21)19(6-8-23-3)7-9-24-4/h13H,5-11H2,1-4H3.
What are the key properties of 7-ethyl-N,N-bis(2-methoxyethyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
7-ethyl-N,N-bis(2-methoxyethyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 0.96, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N,N-bis(2-methoxyethyl)-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90573008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).