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

C18H29N3O4S — CID 90572659

IUPAC8-tert-butyl-N,N-bis(2-methoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCOCCN(CCOC)C(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1
InChIInChI=1S/C18H29N3O4S/c1-18(2,3)14-10-15(22)21-11-13(12-26-17(21)19-14)16(23)20(6-8-24-4)7-9-25-5/h10,13H,6-9,11-12H2,1-5H3
InChIKeyJKJLZCDVWLSSAQ-UHFFFAOYSA-N
MW383.51 g/mol
LogP1.38
Rot. Bonds7

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

8-tert-butyl-N,N-bis(2-methoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572659) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is 8-tert-butyl-N,N-bis(2-methoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name8-tert-butyl-N,N-bis(2-methoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572659
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name8-tert-butyl-N,N-bis(2-methoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCOCCN(CCOC)C(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1
InChIInChI=1S/C18H29N3O4S/c1-18(2,3)14-10-15(22)21-11-13(12-26-17(21)19-14)16(23)20(6-8-24-4)7-9-25-5/h10,13H,6-9,11-12H2,1-5H3
InChIKeyJKJLZCDVWLSSAQ-UHFFFAOYSA-N
XLogP1.38
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-N,N-bis(2-methoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 8-tert-butyl-N,N-bis(2-methoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572659) is 8-tert-butyl-N,N-bis(2-methoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for 8-tert-butyl-N,N-bis(2-methoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 8-tert-butyl-N,N-bis(2-methoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is COCCN(CCOC)C(=O)C1CSc2nc(C(C)(C)C)cc(=O)n2C1.
What is the InChIKey of 8-tert-butyl-N,N-bis(2-methoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is JKJLZCDVWLSSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-18(2,3)14-10-15(22)21-11-13(12-26-17(21)19-14)16(23)20(6-8-24-4)7-9-25-5/h10,13H,6-9,11-12H2,1-5H3.
What are the key properties of 8-tert-butyl-N,N-bis(2-methoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
8-tert-butyl-N,N-bis(2-methoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 383.51 g/mol, XLogP of 1.38, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-N,N-bis(2-methoxyethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).