2-(3,4-dimethylphenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-4-ol

C21H19N3OS — CID 135589537

IUPAC2-(3,4-dimethylphenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-4-ol
SMILESCc1ccc(/N=c2/sc(/C=C3\C=Nc4ccccc43)c(O)n2C)cc1C
InChIInChI=1S/C21H19N3OS/c1-13-8-9-16(10-14(13)2)23-21-24(3)20(25)19(26-21)11-15-12-22-18-7-5-4-6-17(15)18/h4-12,25H,1-3H3/b15-11+,23-21+
InChIKeyKWWBPTURALQWQZ-QCUDIIBSSA-N
MW361.47 g/mol
LogP4.90
Rot. Bonds2

About 2-(3,4-dimethylphenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-4-ol

2-(3,4-dimethylphenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-4-ol (PubChem CID 135589537) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-4-ol
PubChem CID135589537
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name2-(3,4-dimethylphenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-4-ol
SMILESCc1ccc(/N=c2/sc(/C=C3\C=Nc4ccccc43)c(O)n2C)cc1C
InChIInChI=1S/C21H19N3OS/c1-13-8-9-16(10-14(13)2)23-21-24(3)20(25)19(26-21)11-15-12-22-18-7-5-4-6-17(15)18/h4-12,25H,1-3H3/b15-11+,23-21+
InChIKeyKWWBPTURALQWQZ-QCUDIIBSSA-N
XLogP4.90
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dimethylphenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-4-ol 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

5-(indol-3-ylidenemethyl)-3-methyl-2-phenylimino-1,3-thiazol-4-ol
CID 1229080
4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-2-one
CID 170996879
5-[(E)-indol-3-ylidenemethyl]-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol
CID 135435743
3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol
CID 135467632
2-(3-chlorophenyl)imino-3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
CID 135589567
3-(3-chlorophenyl)-2-(3-chlorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
CID 135670347
3-cyclopentyl-5-[(E)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol
CID 135648196
3-ethyl-2-ethylimino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol
CID 599786
5-[(6-methoxyindol-3-ylidene)methyl]-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazol-4-ol
CID 135904014
3-ethyl-2-(2-ethylphenyl)imino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol
CID 1233465
4-hydroxy-5-(indol-3-ylidenemethyl)-3-propyl-1,3-thiazol-2-one
CID 137085171
2-(2,4-difluorophenyl)imino-3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
CID 135589557

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-4-ol?
The IUPAC name of 2-(3,4-dimethylphenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-4-ol (CID 135589537) is 2-(3,4-dimethylphenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(3,4-dimethylphenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-4-ol?
The canonical SMILES for 2-(3,4-dimethylphenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-4-ol is Cc1ccc(/N=c2/sc(/C=C3\C=Nc4ccccc43)c(O)n2C)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-4-ol?
The InChIKey is KWWBPTURALQWQZ-QCUDIIBSSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-13-8-9-16(10-14(13)2)23-21-24(3)20(25)19(26-21)11-15-12-22-18-7-5-4-6-17(15)18/h4-12,25H,1-3H3/b15-11+,23-21+.
What are the key properties of 2-(3,4-dimethylphenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-4-ol?
2-(3,4-dimethylphenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-4-ol has a molecular weight of 361.47 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-4-ol is sourced from PubChem (CID 135589537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).