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

C18H14N4O3S — CID 2596883

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)Cn3cnc4ccccc4c3=O)sc2c1
InChIInChI=1S/C18H14N4O3S/c1-25-11-6-7-14-15(8-11)26-18(20-14)21-16(23)9-22-10-19-13-5-3-2-4-12(13)17(22)24/h2-8,10H,9H2,1H3,(H,20,21,23)
InChIKeyZTOAPYWJBJNDCI-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.65
Rot. Bonds4

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

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 2596883) has the molecular formula C18H14N4O3S and a molecular weight of 366.40 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID2596883
Molecular FormulaC18H14N4O3S
Molecular Weight366.40 g/mol
Exact Mass366.08
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)Cn3cnc4ccccc4c3=O)sc2c1
InChIInChI=1S/C18H14N4O3S/c1-25-11-6-7-14-15(8-11)26-18(20-14)21-16(23)9-22-10-19-13-5-3-2-4-12(13)17(22)24/h2-8,10H,9H2,1H3,(H,20,21,23)
InChIKeyZTOAPYWJBJNDCI-UHFFFAOYSA-N
XLogP2.65
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 2596883) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide is COc1ccc2nc(NC(=O)Cn3cnc4ccccc4c3=O)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is ZTOAPYWJBJNDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S/c1-25-11-6-7-14-15(8-11)26-18(20-14)21-16(23)9-22-10-19-13-5-3-2-4-12(13)17(22)24/h2-8,10H,9H2,1H3,(H,20,21,23).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 366.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 2596883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).