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

C25H18N4O2S — CID 26177375

IUPACN-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C25H18N4O2S/c30-21(15-29-16-26-20-14-8-7-13-19(20)24(29)31)27-25-28-22(17-9-3-1-4-10-17)23(32-25)18-11-5-2-6-12-18/h1-14,16H,15H2,(H,27,28,30)
InChIKeyADJODKYKVSQXNL-UHFFFAOYSA-N
MW438.51 g/mol
LogP4.83
Rot. Bonds5

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

N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 26177375) has the molecular formula C25H18N4O2S and a molecular weight of 438.51 g/mol. Its IUPAC name is N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID26177375
Molecular FormulaC25H18N4O2S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC NameN-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C25H18N4O2S/c30-21(15-29-16-26-20-14-8-7-13-19(20)24(29)31)27-25-28-22(17-9-3-1-4-10-17)23(32-25)18-11-5-2-6-12-18/h1-14,16H,15H2,(H,27,28,30)
InChIKeyADJODKYKVSQXNL-UHFFFAOYSA-N
XLogP4.83
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 55575215
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2701434
ethyl 2-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 55583528
2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 17450612
N-(1,3-benzothiazol-2-yl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
CID 126478675
N-(1,3-benzothiazol-2-yl)-2-[2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 2158872
N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide
CID 4099246
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 32862972
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 8801516
2-(4-oxoquinazolin-3-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 2567187
N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 52898613
N-(4,6-dimethylpyrimidin-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 155294773

Frequently Asked Questions

What is the IUPAC name of N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 26177375) is N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccccc2c1=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is ADJODKYKVSQXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O2S/c30-21(15-29-16-26-20-14-8-7-13-19(20)24(29)31)27-25-28-22(17-9-3-1-4-10-17)23(32-25)18-11-5-2-6-12-18/h1-14,16H,15H2,(H,27,28,30).
What are the key properties of N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 438.51 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 26177375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).