3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C17H14N4O4S — CID 46970957

IUPAC3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)Nc3ccc4c(c3)NC(=O)C(C)O4)c(=O)n12
InChIInChI=1S/C17H14N4O4S/c1-8-7-26-17-18-6-11(16(24)21(8)17)15(23)19-10-3-4-13-12(5-10)20-14(22)9(2)25-13/h3-7,9H,1-2H3,(H,19,23)(H,20,22)
InChIKeyFGRZZHWMAFBLIV-UHFFFAOYSA-N
MW370.39 g/mol
LogP2.04
Rot. Bonds2

About 3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 46970957) has the molecular formula C17H14N4O4S and a molecular weight of 370.39 g/mol. Its IUPAC name is 3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID46970957
Molecular FormulaC17H14N4O4S
Molecular Weight370.39 g/mol
Exact Mass370.07
IUPAC Name3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)Nc3ccc4c(c3)NC(=O)C(C)O4)c(=O)n12
InChIInChI=1S/C17H14N4O4S/c1-8-7-26-17-18-6-11(16(24)21(8)17)15(23)19-10-3-4-13-12(5-10)20-14(22)9(2)25-13/h3-7,9H,1-2H3,(H,19,23)(H,20,22)
InChIKeyFGRZZHWMAFBLIV-UHFFFAOYSA-N
XLogP2.04
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chlorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5046966
3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)thiophene-2-carboxamide
CID 46616611
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
2-hydroxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 18129767
2,5-dimethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide
CID 34463676
5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)thiophene-2-carboxamide
CID 18090671
2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 17413196
2-bromo-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 40810154
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]furan-3-carboxamide
CID 51640081
ethyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate
CID 4134616
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,3-benzothiazole-6-carboxamide
CID 41176931
N-(5-acetamido-2-methoxyphenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4581052

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 46970957) is 3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2ncc(C(=O)Nc3ccc4c(c3)NC(=O)C(C)O4)c(=O)n12.
What is the InChIKey of 3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is FGRZZHWMAFBLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O4S/c1-8-7-26-17-18-6-11(16(24)21(8)17)15(23)19-10-3-4-13-12(5-10)20-14(22)9(2)25-13/h3-7,9H,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 370.39 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 46970957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).