4-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-phenyl-1,3-thiazole-5-carboxamide

C19H15N3O3S — CID 51207749

IUPAC4-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C19H15N3O3S/c1-11-17(26-19(20-11)12-5-3-2-4-6-12)18(24)21-13-7-8-15-14(9-13)22-16(23)10-25-15/h2-9H,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyYHIPNUGSQMBEQG-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.70
Rot. Bonds3

About 4-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-phenyl-1,3-thiazole-5-carboxamide

4-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 51207749) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is 4-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID51207749
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Name4-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C19H15N3O3S/c1-11-17(26-19(20-11)12-5-3-2-4-6-12)18(24)21-13-7-8-15-14(9-13)22-16(23)10-25-15/h2-9H,10H2,1H3,(H,21,24)(H,22,23)
InChIKeyYHIPNUGSQMBEQG-UHFFFAOYSA-N
XLogP3.70
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 51153474
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
CID 51153472
5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 35528644
3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide
CID 31020779
2-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 35534478
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidine-5-carboxamide
CID 47021211
2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indole-3-carboxamide
CID 24515939
4-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55723008
4-methyl-2-(5-methylfuran-2-yl)-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 38585765
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 39820934
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 27675116

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-phenyl-1,3-thiazole-5-carboxamide (CID 51207749) is 4-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 4-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is YHIPNUGSQMBEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c1-11-17(26-19(20-11)12-5-3-2-4-6-12)18(24)21-13-7-8-15-14(9-13)22-16(23)10-25-15/h2-9H,10H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 4-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-phenyl-1,3-thiazole-5-carboxamide?
4-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51207749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).