4-phenyl-1-[4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]azetidin-2-one

C21H15N3OS2 — CID 10318180

IUPAC4-phenyl-1-[4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]azetidin-2-one
SMILESO=C1CC(c2ccccc2)N1c1nc(-c2nc(-c3ccccc3)cs2)cs1
InChIInChI=1S/C21H15N3OS2/c25-19-11-18(15-9-5-2-6-10-15)24(19)21-23-17(13-27-21)20-22-16(12-26-20)14-7-3-1-4-8-14/h1-10,12-13,18H,11H2
InChIKeySGILLTJKHYEYHC-UHFFFAOYSA-N
MW389.51 g/mol
LogP5.41
Rot. Bonds4

About 4-phenyl-1-[4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]azetidin-2-one

4-phenyl-1-[4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]azetidin-2-one (PubChem CID 10318180) has the molecular formula C21H15N3OS2 and a molecular weight of 389.51 g/mol. Its IUPAC name is 4-phenyl-1-[4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]azetidin-2-one.

Molecular Properties

Compound Name4-phenyl-1-[4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]azetidin-2-one
PubChem CID10318180
Molecular FormulaC21H15N3OS2
Molecular Weight389.51 g/mol
Exact Mass389.07
IUPAC Name4-phenyl-1-[4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]azetidin-2-one
SMILESO=C1CC(c2ccccc2)N1c1nc(-c2nc(-c3ccccc3)cs2)cs1
InChIInChI=1S/C21H15N3OS2/c25-19-11-18(15-9-5-2-6-10-15)24(19)21-23-17(13-27-21)20-22-16(12-26-20)14-7-3-1-4-8-14/h1-10,12-13,18H,11H2
InChIKeySGILLTJKHYEYHC-UHFFFAOYSA-N
XLogP5.41
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.51
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)azetidin-2-one
CID 10343924
2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-(4-iodophenyl)-1,3-thiazole
CID 2840664
4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
4-[3-phenyl-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-3,4-dihydropyrazol-5-yl]phenol
CID 136961371
5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-sulfonamide
CID 168719509
2-[3-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-4-oxo-2-phenyl-1,3-thiazolidin-5-yl]acetic acid
CID 10255741
4-[2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide
CID 2840081
4-(3,4-dimethylphenyl)-2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-1,3-thiazole;hydrobromide
CID 126478151
2-[(3R)-5-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 40900302
1-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
CID 17398125
2-[(3R)-3-(3,4-dimethoxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 41089511
(4R)-4-[2-(4-phenyl-1,3-thiazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one
CID 97042055

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]azetidin-2-one?
The IUPAC name of 4-phenyl-1-[4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]azetidin-2-one (CID 10318180) is 4-phenyl-1-[4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]azetidin-2-one.
What is the SMILES notation for 4-phenyl-1-[4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]azetidin-2-one?
The canonical SMILES for 4-phenyl-1-[4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]azetidin-2-one is O=C1CC(c2ccccc2)N1c1nc(-c2nc(-c3ccccc3)cs2)cs1.
What is the InChIKey of 4-phenyl-1-[4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]azetidin-2-one?
The InChIKey is SGILLTJKHYEYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3OS2/c25-19-11-18(15-9-5-2-6-10-15)24(19)21-23-17(13-27-21)20-22-16(12-26-20)14-7-3-1-4-8-14/h1-10,12-13,18H,11H2.
What are the key properties of 4-phenyl-1-[4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]azetidin-2-one?
4-phenyl-1-[4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]azetidin-2-one has a molecular weight of 389.51 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]azetidin-2-one is sourced from PubChem (CID 10318180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).