4-oxo-N-(4-propoxyphenyl)-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide

C17H21N3O3S — CID 2958466

IUPAC4-oxo-N-(4-propoxyphenyl)-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide
SMILESCCCOc1ccc(NC(=O)C2CC(=O)N3CCCN=C3S2)cc1
InChIInChI=1S/C17H21N3O3S/c1-2-10-23-13-6-4-12(5-7-13)19-16(22)14-11-15(21)20-9-3-8-18-17(20)24-14/h4-7,14H,2-3,8-11H2,1H3,(H,19,22)
InChIKeyBGBVXEDRBCZGAM-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.51
Rot. Bonds5

About 4-oxo-N-(4-propoxyphenyl)-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide

4-oxo-N-(4-propoxyphenyl)-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide (PubChem CID 2958466) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-oxo-N-(4-propoxyphenyl)-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(4-propoxyphenyl)-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide
PubChem CID2958466
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name4-oxo-N-(4-propoxyphenyl)-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide
SMILESCCCOc1ccc(NC(=O)C2CC(=O)N3CCCN=C3S2)cc1
InChIInChI=1S/C17H21N3O3S/c1-2-10-23-13-6-4-12(5-7-13)19-16(22)14-11-15(21)20-9-3-8-18-17(20)24-14/h4-7,14H,2-3,8-11H2,1H3,(H,19,22)
InChIKeyBGBVXEDRBCZGAM-UHFFFAOYSA-N
XLogP2.51
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(4-propoxyphenyl)-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide?
The IUPAC name of 4-oxo-N-(4-propoxyphenyl)-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide (CID 2958466) is 4-oxo-N-(4-propoxyphenyl)-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide.
What is the SMILES notation for 4-oxo-N-(4-propoxyphenyl)-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide?
The canonical SMILES for 4-oxo-N-(4-propoxyphenyl)-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide is CCCOc1ccc(NC(=O)C2CC(=O)N3CCCN=C3S2)cc1.
What is the InChIKey of 4-oxo-N-(4-propoxyphenyl)-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide?
The InChIKey is BGBVXEDRBCZGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-2-10-23-13-6-4-12(5-7-13)19-16(22)14-11-15(21)20-9-3-8-18-17(20)24-14/h4-7,14H,2-3,8-11H2,1H3,(H,19,22).
What are the key properties of 4-oxo-N-(4-propoxyphenyl)-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide?
4-oxo-N-(4-propoxyphenyl)-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(4-propoxyphenyl)-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide is sourced from PubChem (CID 2958466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).