N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide

C19H16N4O2S — CID 118713608

IUPACN-(1,3-benzothiazol-2-ylmethyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1nc2ccccc2c(=O)n1CC(=O)NCc1nc2ccccc2s1
InChIInChI=1S/C19H16N4O2S/c1-12-21-14-7-3-2-6-13(14)19(25)23(12)11-17(24)20-10-18-22-15-8-4-5-9-16(15)26-18/h2-9H,10-11H2,1H3,(H,20,24)
InChIKeyZTXLMMUZIXEKEQ-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.63
Rot. Bonds4

About N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide

N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 118713608) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID118713608
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1nc2ccccc2c(=O)n1CC(=O)NCc1nc2ccccc2s1
InChIInChI=1S/C19H16N4O2S/c1-12-21-14-7-3-2-6-13(14)19(25)23(12)11-17(24)20-10-18-22-15-8-4-5-9-16(15)26-18/h2-9H,10-11H2,1H3,(H,20,24)
InChIKeyZTXLMMUZIXEKEQ-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide (CID 118713608) is N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide is Cc1nc2ccccc2c(=O)n1CC(=O)NCc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is ZTXLMMUZIXEKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-12-21-14-7-3-2-6-13(14)19(25)23(12)11-17(24)20-10-18-22-15-8-4-5-9-16(15)26-18/h2-9H,10-11H2,1H3,(H,20,24).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 364.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 118713608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).