5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol

C21H19N3OS — CID 135467636

IUPAC5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol
SMILESCC(C)n1c(O)c(/C=C2\C=Nc3ccccc32)s/c1=N\c1ccccc1
InChIInChI=1S/C21H19N3OS/c1-14(2)24-20(25)19(26-21(24)23-16-8-4-3-5-9-16)12-15-13-22-18-11-7-6-10-17(15)18/h3-14,25H,1-2H3/b15-12+,23-21-
InChIKeyQIITUPHRYCMGOM-RHPSWZKUSA-N
MW361.47 g/mol
LogP5.32
Rot. Bonds3

About 5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol

5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol (PubChem CID 135467636) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is 5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol.

Molecular Properties

Compound Name5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol
PubChem CID135467636
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol
SMILESCC(C)n1c(O)c(/C=C2\C=Nc3ccccc32)s/c1=N\c1ccccc1
InChIInChI=1S/C21H19N3OS/c1-14(2)24-20(25)19(26-21(24)23-16-8-4-3-5-9-16)12-15-13-22-18-11-7-6-10-17(15)18/h3-14,25H,1-2H3/b15-12+,23-21-
InChIKeyQIITUPHRYCMGOM-RHPSWZKUSA-N
XLogP5.32
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol with MolForge

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Related Compounds

N-3'-ethylaplysinopsin
CID 135412764
(5E)-3-ethyl-5-(1H-indol-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 135448748
Methylaplysinopsin
CID 135449090
3-Ethyl-5-(indol-3-ylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 135400590
(5E)-3-ethyl-5-(1H-indol-3-ylmethylidene)-2-phenylimino-1,3-thiazolidin-4-one
CID 135467632
(5E)-3-ethyl-5-(1H-indol-3-ylmethylidene)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135467635
(5E)-3-benzyl-5-(1H-indol-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 135467645
4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-propan-2-yl-1,3-thiazole-2-thione
CID 135719225
5-((1H-Indol-3-yl)methylene)-3-ethyl-2-thioxothiazolidin-4-one
CID 349343
3-ethyl-2-(ethylimino)-5-(1H-indol-3-ylmethylene)-1,3-thiazolidin-4-one
CID 599786
3-Cyclopentyl-5-(indol-3-ylmethylene)-2-(phenylazamethylene)-1,3-thiazolidin-4-one
CID 135404030
3-butyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
CID 135440866

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol?
The IUPAC name of 5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol (CID 135467636) is 5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol.
What is the SMILES notation for 5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol?
The canonical SMILES for 5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol is CC(C)n1c(O)c(/C=C2\C=Nc3ccccc32)s/c1=N\c1ccccc1.
What is the InChIKey of 5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol?
The InChIKey is QIITUPHRYCMGOM-RHPSWZKUSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-14(2)24-20(25)19(26-21(24)23-16-8-4-3-5-9-16)12-15-13-22-18-11-7-6-10-17(15)18/h3-14,25H,1-2H3/b15-12+,23-21-.
What are the key properties of 5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol?
5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol has a molecular weight of 361.47 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol is sourced from PubChem (CID 135467636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).