N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide

C23H16N4O2S — CID 8801516

IUPACN-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C23H16N4O2S/c28-21(12-27-14-24-19-11-4-3-9-18(19)22(27)29)26-23-25-20(13-30-23)17-10-5-7-15-6-1-2-8-16(15)17/h1-11,13-14H,12H2,(H,25,26,28)
InChIKeyJLTAURVZOMSTOA-UHFFFAOYSA-N
MW412.47 g/mol
LogP4.31
Rot. Bonds4

About N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide

N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 8801516) has the molecular formula C23H16N4O2S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID8801516
Molecular FormulaC23H16N4O2S
Molecular Weight412.47 g/mol
Exact Mass412.10
IUPAC NameN-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C23H16N4O2S/c28-21(12-27-14-24-19-11-4-3-9-18(19)22(27)29)26-23-25-20(13-30-23)17-10-5-7-15-6-1-2-8-16(15)17/h1-11,13-14H,12H2,(H,25,26,28)
InChIKeyJLTAURVZOMSTOA-UHFFFAOYSA-N
XLogP4.31
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-oxoquinazolin-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 2567187
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 32862972
2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 17450612
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9450450
ethyl 2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 51146279
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 30840666
2-naphthalen-1-yloxy-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide
CID 4038077
N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 26177375
2-(benzimidazol-1-yl)-N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 16661440
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2701434
N-(1,3-benzothiazol-2-yl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
CID 126478675
N-(4,6-dimethylpyrimidin-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 155294773

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 8801516) is N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccccc2c1=O)Nc1nc(-c2cccc3ccccc23)cs1.
What is the InChIKey of N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is JLTAURVZOMSTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2S/c28-21(12-27-14-24-19-11-4-3-9-18(19)22(27)29)26-23-25-20(13-30-23)17-10-5-7-15-6-1-2-8-16(15)17/h1-11,13-14H,12H2,(H,25,26,28).
What are the key properties of N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 412.47 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 8801516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).