N-(1,3-benzothiazol-2-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

C17H13N3O3S — CID 8882494

IUPACN-(1,3-benzothiazol-2-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESO=C(CN1C(=O)COc2ccccc21)Nc1nc2ccccc2s1
InChIInChI=1S/C17H13N3O3S/c21-15(19-17-18-11-5-1-4-8-14(11)24-17)9-20-12-6-2-3-7-13(12)23-10-16(20)22/h1-8H,9-10H2,(H,18,19,21)
InChIKeyMHUKQMWLZWEZDU-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.66
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

N-(1,3-benzothiazol-2-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 8882494) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID8882494
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESO=C(CN1C(=O)COc2ccccc21)Nc1nc2ccccc2s1
InChIInChI=1S/C17H13N3O3S/c21-15(19-17-18-11-5-1-4-8-14(11)24-17)9-20-12-6-2-3-7-13(12)23-10-16(20)22/h1-8H,9-10H2,(H,18,19,21)
InChIKeyMHUKQMWLZWEZDU-UHFFFAOYSA-N
XLogP2.66
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 55636454
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 17448144
3-(3-oxo-1,4-benzoxazin-4-yl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)propanamide
CID 55624895
2-(3-oxo-1,4-benzoxazin-4-yl)-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 9119433
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 27701453
N-(2-chlorophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 2993365
4-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
CID 9233536
N-(4-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 1455414
N-[5-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-1,3-benzothiazol-2-yl]-2-methylpropanamide
CID 46328788
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46455684
N-(4-tert-butylphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 8779827
N-(1,3-benzothiazol-2-yl)-2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetamide
CID 4092896

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 8882494) is N-(1,3-benzothiazol-2-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is O=C(CN1C(=O)COc2ccccc21)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is MHUKQMWLZWEZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c21-15(19-17-18-11-5-1-4-8-14(11)24-17)9-20-12-6-2-3-7-13(12)23-10-16(20)22/h1-8H,9-10H2,(H,18,19,21).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 339.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 8882494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).