N-(4-cyanophenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C15H12N4O2S — CID 90573651

IUPACN-(4-cyanophenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CSc3nccc(=O)n3C2)cc1
InChIInChI=1S/C15H12N4O2S/c16-7-10-1-3-12(4-2-10)18-14(21)11-8-19-13(20)5-6-17-15(19)22-9-11/h1-6,11H,8-9H2,(H,18,21)
InChIKeyBRTOJMJSSSKBAL-UHFFFAOYSA-N
MW312.35 g/mol
LogP1.48
Rot. Bonds2

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

N-(4-cyanophenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90573651) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-(4-cyanophenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90573651
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC NameN-(4-cyanophenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CSc3nccc(=O)n3C2)cc1
InChIInChI=1S/C15H12N4O2S/c16-7-10-1-3-12(4-2-10)18-14(21)11-8-19-13(20)5-6-17-15(19)22-9-11/h1-6,11H,8-9H2,(H,18,21)
InChIKeyBRTOJMJSSSKBAL-UHFFFAOYSA-N
XLogP1.48
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-(9H-fluoren-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 97105653
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
N-[2-(cyclohexen-1-yl)ethyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 71802412
N-[(2-fluorophenyl)methyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573649
N-(4-cyanophenyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513246
N-(4-acetylphenyl)-8-tert-butyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572816
N-(4-cyanophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190622
N-benzyl-N-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573352
trans-(1R,2R)-1-N,2-N-bis(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 124628395
N-(3,5-dimethylphenyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90572518

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90573651) is N-(4-cyanophenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is N#Cc1ccc(NC(=O)C2CSc3nccc(=O)n3C2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is BRTOJMJSSSKBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c16-7-10-1-3-12(4-2-10)18-14(21)11-8-19-13(20)5-6-17-15(19)22-9-11/h1-6,11H,8-9H2,(H,18,21).
What are the key properties of N-(4-cyanophenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
N-(4-cyanophenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90573651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).