N-(1,3-benzothiazol-5-yl)-2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide;2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C48H30Cl4N8O4S4 — CID 122658133

IUPACN-(1,3-benzothiazol-5-yl)-2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide;2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1)Nc1ccc2scnc2c1.O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C25H16Cl2N4O2S2.C23H14Cl2N4O2S2/c26-18-11-10-16(12-19(18)27)31-23(33)17-8-4-5-9-20(17)29-25(31)35-14-22(32)30-24-28-21(13-34-24)15-6-2-1-3-7-15;24-16-7-6-14(10-17(16)25)29-22(31)15-3-1-2-4-18(15)28-23(29)32-11-21(30)27-13-5-8-20-19(9-13)26-12-33-20/h1-13H,14H2,(H,28,30,32);1-10,12H,11H2,(H,27,30)
InChIKeyJWVOYDAMRFNEPE-UHFFFAOYSA-N
MW1052.90 g/mol
LogP12.58
Rot. Bonds11

About N-(1,3-benzothiazol-5-yl)-2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide;2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

N-(1,3-benzothiazol-5-yl)-2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide;2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 122658133) has the molecular formula C48H30Cl4N8O4S4 and a molecular weight of 1052.90 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide;2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide;2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID122658133
Molecular FormulaC48H30Cl4N8O4S4
Molecular Weight1052.90 g/mol
Exact Mass1050.00
IUPAC NameN-(1,3-benzothiazol-5-yl)-2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide;2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1)Nc1ccc2scnc2c1.O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C25H16Cl2N4O2S2.C23H14Cl2N4O2S2/c26-18-11-10-16(12-19(18)27)31-23(33)17-8-4-5-9-20(17)29-25(31)35-14-22(32)30-24-28-21(13-34-24)15-6-2-1-3-7-15;24-16-7-6-14(10-17(16)25)29-22(31)15-3-1-2-4-18(15)28-23(29)32-11-21(30)27-13-5-8-20-19(9-13)26-12-33-20/h1-13H,14H2,(H,28,30,32);1-10,12H,11H2,(H,27,30)
InChIKeyJWVOYDAMRFNEPE-UHFFFAOYSA-N
XLogP12.58
TPSA153.76 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001052.90
LogP ≤ 512.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze N-(1,3-benzothiazol-5-yl)-2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide;2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide with MolForge

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Related Compounds

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 23737172
N-(3-chloro-4-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1304820
N-naphthalen-2-yl-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4666942
N-(4-acetamidophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4543308
2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-iodophenyl)acetamide
CID 16532001
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 986884
N-(3,4-dichlorophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 23855223
N-(3-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1273453
N-(3-bromophenyl)-2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3745372
2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 16531980
N-(3-chloro-4-fluorophenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16538606
N-(4-chlorophenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16538626

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide;2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide;2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 122658133) is N-(1,3-benzothiazol-5-yl)-2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide;2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide;2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide;2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1)Nc1ccc2scnc2c1.O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide;2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is JWVOYDAMRFNEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl2N4O2S2.C23H14Cl2N4O2S2/c26-18-11-10-16(12-19(18)27)31-23(33)17-8-4-5-9-20(17)29-25(31)35-14-22(32)30-24-28-21(13-34-24)15-6-2-1-3-7-15;24-16-7-6-14(10-17(16)25)29-22(31)15-3-1-2-4-18(15)28-23(29)32-11-21(30)27-13-5-8-20-19(9-13)26-12-33-20/h1-13H,14H2,(H,28,30,32);1-10,12H,11H2,(H,27,30).
What are the key properties of N-(1,3-benzothiazol-5-yl)-2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide;2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
N-(1,3-benzothiazol-5-yl)-2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide;2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 1052.90 g/mol, XLogP of 12.58, 11 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide;2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 122658133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).