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

C16H19N3O3S — CID 2950631

IUPACN-(4-ethoxyphenyl)-4-oxo-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide
SMILESCCOc1ccc(NC(=O)C2CC(=O)N3CCCN=C3S2)cc1
InChIInChI=1S/C16H19N3O3S/c1-2-22-12-6-4-11(5-7-12)18-15(21)13-10-14(20)19-9-3-8-17-16(19)23-13/h4-7,13H,2-3,8-10H2,1H3,(H,18,21)
InChIKeyVIBIYNAJJPIPSV-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.12
Rot. Bonds4

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

N-(4-ethoxyphenyl)-4-oxo-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide (PubChem CID 2950631) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-oxo-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-oxo-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide
PubChem CID2950631
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-(4-ethoxyphenyl)-4-oxo-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide
SMILESCCOc1ccc(NC(=O)C2CC(=O)N3CCCN=C3S2)cc1
InChIInChI=1S/C16H19N3O3S/c1-2-22-12-6-4-11(5-7-12)18-15(21)13-10-14(20)19-9-3-8-17-16(19)23-13/h4-7,13H,2-3,8-10H2,1H3,(H,18,21)
InChIKeyVIBIYNAJJPIPSV-UHFFFAOYSA-N
XLogP2.12
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-oxo-2,3,6,7-tetrahydroimidazo[2,1-b][1,3]thiazine-7-carbonyl)amino]benzoic acid
CID 5010415
N-(4-ethoxyphenyl)-3-ethyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
CID 3139591
(6S)-N-(4-ethoxyphenyl)-2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 1114374
(6R)-3-butyl-2-butylimino-N-(4-ethoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 7320715
1-(4-ethoxyphenyl)-5-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 17498477
(6S)-2-(3,5-dichlorophenyl)imino-N-(4-ethoxyphenyl)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 41244933
(6R)-2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
CID 1128940
2-(3,5-dichloro-4-hydroxyphenyl)imino-N-(4-ethoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 4057517
N-(4-ethoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3693269
N-(4-acetamidophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3342359
(3R)-1-cyclohexyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084043
3-benzyl-N-(4-ethoxyphenyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 4275024

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-oxo-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-oxo-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide (CID 2950631) is N-(4-ethoxyphenyl)-4-oxo-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-oxo-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-oxo-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide is CCOc1ccc(NC(=O)C2CC(=O)N3CCCN=C3S2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-oxo-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide?
The InChIKey is VIBIYNAJJPIPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-2-22-12-6-4-11(5-7-12)18-15(21)13-10-14(20)19-9-3-8-17-16(19)23-13/h4-7,13H,2-3,8-10H2,1H3,(H,18,21).
What are the key properties of N-(4-ethoxyphenyl)-4-oxo-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide?
N-(4-ethoxyphenyl)-4-oxo-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-oxo-3,6,7,8-tetrahydro-2H-pyrimido[2,1-b][1,3]thiazine-2-carboxamide is sourced from PubChem (CID 2950631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).