N-(1,3-benzothiazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide

C17H12N4O2S — CID 131938230

IUPACN-(1,3-benzothiazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1ccc2scnc2c1
InChIInChI=1S/C17H12N4O2S/c22-16(20-11-5-6-15-14(7-11)19-10-24-15)8-21-9-18-13-4-2-1-3-12(13)17(21)23/h1-7,9-10H,8H2,(H,20,22)
InChIKeyVTZBNRITSDQPTE-UHFFFAOYSA-N
MW336.38 g/mol
LogP2.64
Rot. Bonds3

About N-(1,3-benzothiazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide

N-(1,3-benzothiazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 131938230) has the molecular formula C17H12N4O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID131938230
Molecular FormulaC17H12N4O2S
Molecular Weight336.38 g/mol
Exact Mass336.07
IUPAC NameN-(1,3-benzothiazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1ccc2scnc2c1
InChIInChI=1S/C17H12N4O2S/c22-16(20-11-5-6-15-14(7-11)19-10-24-15)8-21-9-18-13-4-2-1-3-12(13)17(21)23/h1-7,9-10H,8H2,(H,20,22)
InChIKeyVTZBNRITSDQPTE-UHFFFAOYSA-N
XLogP2.64
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 714396
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 26682960
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2524126
N-(1H-indol-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 39310773
2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42119047
3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 33026865
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 4785568
2-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 7741631
N,N-diethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 27892984

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 131938230) is N-(1,3-benzothiazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccccc2c1=O)Nc1ccc2scnc2c1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is VTZBNRITSDQPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S/c22-16(20-11-5-6-15-14(7-11)19-10-24-15)8-21-9-18-13-4-2-1-3-12(13)17(21)23/h1-7,9-10H,8H2,(H,20,22).
What are the key properties of N-(1,3-benzothiazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-(1,3-benzothiazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 336.38 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 131938230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).