N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide

C19H16N4O2S — CID 2544457

IUPACN-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCc1ccc2nc(NC(=O)Cn3cnc4ccccc4c3=O)sc2c1
InChIInChI=1S/C19H16N4O2S/c1-2-12-7-8-15-16(9-12)26-19(21-15)22-17(24)10-23-11-20-14-6-4-3-5-13(14)18(23)25/h3-9,11H,2,10H2,1H3,(H,21,22,24)
InChIKeyQZPQHLSEBQWYAB-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.21
Rot. Bonds4

About N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide

N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 2544457) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID2544457
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCc1ccc2nc(NC(=O)Cn3cnc4ccccc4c3=O)sc2c1
InChIInChI=1S/C19H16N4O2S/c1-2-12-7-8-15-16(9-12)26-19(21-15)22-17(24)10-23-11-20-14-6-4-3-5-13(14)18(23)25/h3-9,11H,2,10H2,1H3,(H,21,22,24)
InChIKeyQZPQHLSEBQWYAB-UHFFFAOYSA-N
XLogP3.21
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 2544457) is N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide is CCc1ccc2nc(NC(=O)Cn3cnc4ccccc4c3=O)sc2c1.
What is the InChIKey of N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is QZPQHLSEBQWYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-2-12-7-8-15-16(9-12)26-19(21-15)22-17(24)10-23-11-20-14-6-4-3-5-13(14)18(23)25/h3-9,11H,2,10H2,1H3,(H,21,22,24).
What are the key properties of N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 364.43 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 2544457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).