N,N-diethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide

C19H22N4O4S — CID 20932157

IUPACN,N-diethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1cc(C)on1)C(=O)CS2
InChIInChI=1S/C19H22N4O4S/c1-4-22(5-2)19(26)13-6-7-15-14(9-13)23(18(25)11-28-15)10-17(24)20-16-8-12(3)27-21-16/h6-9H,4-5,10-11H2,1-3H3,(H,20,21,24)
InChIKeyCTKGBARPIJUBEQ-UHFFFAOYSA-N
MW402.48 g/mol
LogP2.54
Rot. Bonds6

About N,N-diethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide

N,N-diethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide (PubChem CID 20932157) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is N,N-diethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide
PubChem CID20932157
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC NameN,N-diethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1cc(C)on1)C(=O)CS2
InChIInChI=1S/C19H22N4O4S/c1-4-22(5-2)19(26)13-6-7-15-14(9-13)23(18(25)11-28-15)10-17(24)20-16-8-12(3)27-21-16/h6-9H,4-5,10-11H2,1-3H3,(H,20,21,24)
InChIKeyCTKGBARPIJUBEQ-UHFFFAOYSA-N
XLogP2.54
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-3-oxo-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-benzothiazine-6-carboxamide
CID 50776976
4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 50776945
N,N-diethyl-4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 50776845
4-[2-(cyclooctylamino)-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 50777316
4-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 50777285
4-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 50776866
4-[2-(2-chloroanilino)-2-oxoethyl]-N,N-dimethyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 50777167
4-[2-(benzylamino)-2-oxoethyl]-N,N-dimethyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 50777166
4-[2-(3-methoxyanilino)-2-oxoethyl]-N,N-dimethyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 50777148
2-(2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110686831
N,N-diethyl-4-[2-(3-methylanilino)-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53012392
N-(4-ethoxyphenyl)-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide
CID 50777337

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N,N-diethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide (CID 20932157) is N,N-diethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N,N-diethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide is CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)Nc1cc(C)on1)C(=O)CS2.
What is the InChIKey of N,N-diethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide?
The InChIKey is CTKGBARPIJUBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-4-22(5-2)19(26)13-6-7-15-14(9-13)23(18(25)11-28-15)10-17(24)20-16-8-12(3)27-21-16/h6-9H,4-5,10-11H2,1-3H3,(H,20,21,24).
What are the key properties of N,N-diethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide?
N,N-diethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-oxo-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 20932157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).