4-chloro-1-[2-[[5-(3,5-dichlorophenyl)-1,3,4-thiadiazol-2-yl]amino]phenyl]-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-7-ol

C31H32Cl3N5OS — CID 73051231

IUPAC4-chloro-1-[2-[[5-(3,5-dichlorophenyl)-1,3,4-thiadiazol-2-yl]amino]phenyl]-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-7-ol
SMILESCC(C)(C)CN1CCC2(CC1)CN(c1ccccc1Nc1nnc(-c3cc(Cl)cc(Cl)c3)s1)c1c(O)ccc(Cl)c12
InChIInChI=1S/C31H32Cl3N5OS/c1-30(2,3)17-38-12-10-31(11-13-38)18-39(27-25(40)9-8-22(34)26(27)31)24-7-5-4-6-23(24)35-29-37-36-28(41-29)19-14-20(32)16-21(33)15-19/h4-9,14-16,40H,10-13,17-18H2,1-3H3,(H,35,37)
InChIKeyXPWCOSPDTFZVFE-UHFFFAOYSA-N
MW629.06 g/mol
LogP9.15
Rot. Bonds5

About 4-chloro-1-[2-[[5-(3,5-dichlorophenyl)-1,3,4-thiadiazol-2-yl]amino]phenyl]-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-7-ol

4-chloro-1-[2-[[5-(3,5-dichlorophenyl)-1,3,4-thiadiazol-2-yl]amino]phenyl]-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-7-ol (PubChem CID 73051231) has the molecular formula C31H32Cl3N5OS and a molecular weight of 629.06 g/mol. Its IUPAC name is 4-chloro-1-[2-[[5-(3,5-dichlorophenyl)-1,3,4-thiadiazol-2-yl]amino]phenyl]-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-7-ol.

Molecular Properties

Compound Name4-chloro-1-[2-[[5-(3,5-dichlorophenyl)-1,3,4-thiadiazol-2-yl]amino]phenyl]-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-7-ol
PubChem CID73051231
Molecular FormulaC31H32Cl3N5OS
Molecular Weight629.06 g/mol
Exact Mass627.14
IUPAC Name4-chloro-1-[2-[[5-(3,5-dichlorophenyl)-1,3,4-thiadiazol-2-yl]amino]phenyl]-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-7-ol
SMILESCC(C)(C)CN1CCC2(CC1)CN(c1ccccc1Nc1nnc(-c3cc(Cl)cc(Cl)c3)s1)c1c(O)ccc(Cl)c12
InChIInChI=1S/C31H32Cl3N5OS/c1-30(2,3)17-38-12-10-31(11-13-38)18-39(27-25(40)9-8-22(34)26(27)31)24-7-5-4-6-23(24)35-29-37-36-28(41-29)19-14-20(32)16-21(33)15-19/h4-9,14-16,40H,10-13,17-18H2,1-3H3,(H,35,37)
InChIKeyXPWCOSPDTFZVFE-UHFFFAOYSA-N
XLogP9.15
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.06
LogP ≤ 59.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-chloro-1-[2-[[5-(3,5-dichlorophenyl)-1,3,4-thiadiazol-2-yl]amino]phenyl]-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[2-[[5-(3,5-dichlorophenyl)-1,3,4-thiadiazol-2-yl]amino]phenyl]-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-7-ol?
The IUPAC name of 4-chloro-1-[2-[[5-(3,5-dichlorophenyl)-1,3,4-thiadiazol-2-yl]amino]phenyl]-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-7-ol (CID 73051231) is 4-chloro-1-[2-[[5-(3,5-dichlorophenyl)-1,3,4-thiadiazol-2-yl]amino]phenyl]-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-7-ol.
What is the SMILES notation for 4-chloro-1-[2-[[5-(3,5-dichlorophenyl)-1,3,4-thiadiazol-2-yl]amino]phenyl]-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-7-ol?
The canonical SMILES for 4-chloro-1-[2-[[5-(3,5-dichlorophenyl)-1,3,4-thiadiazol-2-yl]amino]phenyl]-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-7-ol is CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1Nc1nnc(-c3cc(Cl)cc(Cl)c3)s1)c1c(O)ccc(Cl)c12.
What is the InChIKey of 4-chloro-1-[2-[[5-(3,5-dichlorophenyl)-1,3,4-thiadiazol-2-yl]amino]phenyl]-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-7-ol?
The InChIKey is XPWCOSPDTFZVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32Cl3N5OS/c1-30(2,3)17-38-12-10-31(11-13-38)18-39(27-25(40)9-8-22(34)26(27)31)24-7-5-4-6-23(24)35-29-37-36-28(41-29)19-14-20(32)16-21(33)15-19/h4-9,14-16,40H,10-13,17-18H2,1-3H3,(H,35,37).
What are the key properties of 4-chloro-1-[2-[[5-(3,5-dichlorophenyl)-1,3,4-thiadiazol-2-yl]amino]phenyl]-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-7-ol?
4-chloro-1-[2-[[5-(3,5-dichlorophenyl)-1,3,4-thiadiazol-2-yl]amino]phenyl]-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-7-ol has a molecular weight of 629.06 g/mol, XLogP of 9.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[2-[[5-(3,5-dichlorophenyl)-1,3,4-thiadiazol-2-yl]amino]phenyl]-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-7-ol is sourced from PubChem (CID 73051231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).