N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C13H12N4O3S2 — CID 90573663

IUPACN-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESO=C(Nc1onc2c1CSC2)C1CSc2nccc(=O)n2C1
InChIInChI=1S/C13H12N4O3S2/c18-10-1-2-14-13-17(10)3-7(4-22-13)11(19)15-12-8-5-21-6-9(8)16-20-12/h1-2,7H,3-6H2,(H,15,19)
InChIKeyVNHFMFOYFFYVTA-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.34
Rot. Bonds2

About N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90573663) has the molecular formula C13H12N4O3S2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90573663
Molecular FormulaC13H12N4O3S2
Molecular Weight336.40 g/mol
Exact Mass336.04
IUPAC NameN-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESO=C(Nc1onc2c1CSC2)C1CSc2nccc(=O)n2C1
InChIInChI=1S/C13H12N4O3S2/c18-10-1-2-14-13-17(10)3-7(4-22-13)11(19)15-12-8-5-21-6-9(8)16-20-12/h1-2,7H,3-6H2,(H,15,19)
InChIKeyVNHFMFOYFFYVTA-UHFFFAOYSA-N
XLogP1.34
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide with MolForge

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Related Compounds

6-oxo-N-pyridin-2-yl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573560
N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573570
6-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573555
N-(2,3-dichlorophenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573523
N-(4-cyanophenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573651
6-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573614
N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573539
6-oxo-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573648
N-(3-hydroxypropyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573405
6-oxo-N-(2-oxothiolan-3-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573621
6-oxo-N-(2-phenoxyphenyl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573599
6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573672

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90573663) is N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is O=C(Nc1onc2c1CSC2)C1CSc2nccc(=O)n2C1.
What is the InChIKey of N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is VNHFMFOYFFYVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S2/c18-10-1-2-14-13-17(10)3-7(4-22-13)11(19)15-12-8-5-21-6-9(8)16-20-12/h1-2,7H,3-6H2,(H,15,19).
What are the key properties of N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90573663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).