N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide

C19H17N3O3S — CID 7831363

IUPACN-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
SMILESCCc1ccc2nc(NC(=O)C[C@H]3Oc4ccccc4NC3=O)sc2c1
InChIInChI=1S/C19H17N3O3S/c1-2-11-7-8-13-16(9-11)26-19(21-13)22-17(23)10-15-18(24)20-12-5-3-4-6-14(12)25-15/h3-9,15H,2,10H2,1H3,(H,20,24)(H,21,22,23)/t15-/m1/s1
InChIKeyVITATGIJPGCVFL-OAHLLOKOSA-N
MW367.43 g/mol
LogP3.59
Rot. Bonds4

About N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide

N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide (PubChem CID 7831363) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
PubChem CID7831363
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
SMILESCCc1ccc2nc(NC(=O)C[C@H]3Oc4ccccc4NC3=O)sc2c1
InChIInChI=1S/C19H17N3O3S/c1-2-11-7-8-13-16(9-11)26-19(21-13)22-17(23)10-15-18(24)20-12-5-3-4-6-14(12)25-15/h3-9,15H,2,10H2,1H3,(H,20,24)(H,21,22,23)/t15-/m1/s1
InChIKeyVITATGIJPGCVFL-OAHLLOKOSA-N
XLogP3.59
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 75769952
N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170
2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 51044310
2-cyano-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
CID 108767773
N-[(4-methoxyphenyl)methyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 7481010
2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 40642850
diethyl-[[4-[[[2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]amino]methyl]phenyl]methyl]azanium
CID 8948490
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 8948495
N-(3,4-dipropoxyphenyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9376437
2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 51048655
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 8882986
1-(benzenesulfonyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide
CID 24594729

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
The IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide (CID 7831363) is N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide.
What is the SMILES notation for N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
The canonical SMILES for N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide is CCc1ccc2nc(NC(=O)C[C@H]3Oc4ccccc4NC3=O)sc2c1.
What is the InChIKey of N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
The InChIKey is VITATGIJPGCVFL-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-2-11-7-8-13-16(9-11)26-19(21-13)22-17(23)10-15-18(24)20-12-5-3-4-6-14(12)25-15/h3-9,15H,2,10H2,1H3,(H,20,24)(H,21,22,23)/t15-/m1/s1.
What are the key properties of N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide has a molecular weight of 367.43 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide is sourced from PubChem (CID 7831363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).