3'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,7'-[1,3]thiazolo[3,2-a]pyrimidine]-2-one

C25H16ClN3OS — CID 71745723

IUPAC3'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,7'-[1,3]thiazolo[3,2-a]pyrimidine]-2-one
SMILESO=C1Nc2ccccc2C12C=C(c1ccccc1)N1C(c3ccc(Cl)cc3)=CSC1=N2
InChIInChI=1S/C25H16ClN3OS/c26-18-12-10-17(11-13-18)22-15-31-24-28-25(19-8-4-5-9-20(19)27-23(25)30)14-21(29(22)24)16-6-2-1-3-7-16/h1-15H,(H,27,30)
InChIKeyWJCJNLWWNFNWKA-UHFFFAOYSA-N
MW441.94 g/mol
LogP5.95
Rot. Bonds2

About 3'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,7'-[1,3]thiazolo[3,2-a]pyrimidine]-2-one

3'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,7'-[1,3]thiazolo[3,2-a]pyrimidine]-2-one (PubChem CID 71745723) has the molecular formula C25H16ClN3OS and a molecular weight of 441.94 g/mol. Its IUPAC name is 3'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,7'-[1,3]thiazolo[3,2-a]pyrimidine]-2-one.

Molecular Properties

Compound Name3'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,7'-[1,3]thiazolo[3,2-a]pyrimidine]-2-one
PubChem CID71745723
Molecular FormulaC25H16ClN3OS
Molecular Weight441.94 g/mol
Exact Mass441.07
IUPAC Name3'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,7'-[1,3]thiazolo[3,2-a]pyrimidine]-2-one
SMILESO=C1Nc2ccccc2C12C=C(c1ccccc1)N1C(c3ccc(Cl)cc3)=CSC1=N2
InChIInChI=1S/C25H16ClN3OS/c26-18-12-10-17(11-13-18)22-15-31-24-28-25(19-8-4-5-9-20(19)27-23(25)30)14-21(29(22)24)16-6-2-1-3-7-16/h1-15H,(H,27,30)
InChIKeyWJCJNLWWNFNWKA-UHFFFAOYSA-N
XLogP5.95
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.94
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,7'-[1,3]thiazolo[3,2-a]pyrimidine]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3S)-3'-(4-chlorophenyl)-2-oxospiro[1H-indole-3,5'-4H-pyrazole]-1'-yl]-4-oxobutanoic acid
CID 41009654
8'-chloro-4'-phenylspiro[1H-indole-3,2'-5H-1,5-benzothiazepine]-2-one
CID 11025587
5,6-bis(4-chlorophenyl)-3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 58006794
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-hydroxy-1H-indol-2-one
CID 102263352
(3S)-5',6'-diphenylspiro[1H-indole-3,2'-imidazo[2,1-b][1,3]thiazole]-2,3'-dione
CID 100816888
5',6'-diphenylspiro[1H-indole-3,2'-imidazo[2,1-b][1,3]thiazole]-2,3'-dione
CID 102552150
(3S)-4'-(4-chlorophenyl)spiro[1H-indole-3,2'-3H-pyran]-2,6'-dione
CID 122221121
3,3-dichloro-1H-indol-2-one
CID 719018
(5R,10bS)-9-chloro-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one
CID 40596975
7'-chloro-4'-(4-fluorophenyl)spiro[1H-indole-3,2'-5H-1,5-benzothiazepine]-2-one
CID 24776207
CID 122212129
CID 122212129
(1R,3R,3aS,6aS)-5-(4-chlorophenyl)-1-phenylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 124791490

Frequently Asked Questions

What is the IUPAC name of 3'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,7'-[1,3]thiazolo[3,2-a]pyrimidine]-2-one?
The IUPAC name of 3'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,7'-[1,3]thiazolo[3,2-a]pyrimidine]-2-one (CID 71745723) is 3'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,7'-[1,3]thiazolo[3,2-a]pyrimidine]-2-one.
What is the SMILES notation for 3'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,7'-[1,3]thiazolo[3,2-a]pyrimidine]-2-one?
The canonical SMILES for 3'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,7'-[1,3]thiazolo[3,2-a]pyrimidine]-2-one is O=C1Nc2ccccc2C12C=C(c1ccccc1)N1C(c3ccc(Cl)cc3)=CSC1=N2.
What is the InChIKey of 3'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,7'-[1,3]thiazolo[3,2-a]pyrimidine]-2-one?
The InChIKey is WJCJNLWWNFNWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClN3OS/c26-18-12-10-17(11-13-18)22-15-31-24-28-25(19-8-4-5-9-20(19)27-23(25)30)14-21(29(22)24)16-6-2-1-3-7-16/h1-15H,(H,27,30).
What are the key properties of 3'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,7'-[1,3]thiazolo[3,2-a]pyrimidine]-2-one?
3'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,7'-[1,3]thiazolo[3,2-a]pyrimidine]-2-one has a molecular weight of 441.94 g/mol, XLogP of 5.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(4-chlorophenyl)-5'-phenylspiro[1H-indole-3,7'-[1,3]thiazolo[3,2-a]pyrimidine]-2-one is sourced from PubChem (CID 71745723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).