5-(indol-3-ylidenemethyl)-3-methyl-2-phenylimino-1,3-thiazol-4-ol

C19H15N3OS — CID 1229080

IUPAC5-(indol-3-ylidenemethyl)-3-methyl-2-phenylimino-1,3-thiazol-4-ol
SMILESCn1c(O)c(C=C2C=Nc3ccccc32)s/c1=N/c1ccccc1
InChIInChI=1S/C19H15N3OS/c1-22-18(23)17(24-19(22)21-14-7-3-2-4-8-14)11-13-12-20-16-10-6-5-9-15(13)16/h2-12,23H,1H3/b13-11?,21-19+
InChIKeyGEPPSNIOWSRTNG-QKUJQWQYSA-N
MW333.42 g/mol
LogP4.28
Rot. Bonds2

About 5-(indol-3-ylidenemethyl)-3-methyl-2-phenylimino-1,3-thiazol-4-ol

5-(indol-3-ylidenemethyl)-3-methyl-2-phenylimino-1,3-thiazol-4-ol (PubChem CID 1229080) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 5-(indol-3-ylidenemethyl)-3-methyl-2-phenylimino-1,3-thiazol-4-ol.

Molecular Properties

Compound Name5-(indol-3-ylidenemethyl)-3-methyl-2-phenylimino-1,3-thiazol-4-ol
PubChem CID1229080
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name5-(indol-3-ylidenemethyl)-3-methyl-2-phenylimino-1,3-thiazol-4-ol
SMILESCn1c(O)c(C=C2C=Nc3ccccc32)s/c1=N/c1ccccc1
InChIInChI=1S/C19H15N3OS/c1-22-18(23)17(24-19(22)21-14-7-3-2-4-8-14)11-13-12-20-16-10-6-5-9-15(13)16/h2-12,23H,1H3/b13-11?,21-19+
InChIKeyGEPPSNIOWSRTNG-QKUJQWQYSA-N
XLogP4.28
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethylphenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-4-ol
CID 135589537
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
3-cyclopentyl-5-[(E)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol
CID 135648196
4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-2-one
CID 170996879
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-ethyl-2-ethylimino-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
CID 135537913
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
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
5-[(5-methoxyindol-3-ylidene)methyl]-3-methyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazol-4-ol
CID 135924939

Frequently Asked Questions

What is the IUPAC name of 5-(indol-3-ylidenemethyl)-3-methyl-2-phenylimino-1,3-thiazol-4-ol?
The IUPAC name of 5-(indol-3-ylidenemethyl)-3-methyl-2-phenylimino-1,3-thiazol-4-ol (CID 1229080) is 5-(indol-3-ylidenemethyl)-3-methyl-2-phenylimino-1,3-thiazol-4-ol.
What is the SMILES notation for 5-(indol-3-ylidenemethyl)-3-methyl-2-phenylimino-1,3-thiazol-4-ol?
The canonical SMILES for 5-(indol-3-ylidenemethyl)-3-methyl-2-phenylimino-1,3-thiazol-4-ol is Cn1c(O)c(C=C2C=Nc3ccccc32)s/c1=N/c1ccccc1.
What is the InChIKey of 5-(indol-3-ylidenemethyl)-3-methyl-2-phenylimino-1,3-thiazol-4-ol?
The InChIKey is GEPPSNIOWSRTNG-QKUJQWQYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-22-18(23)17(24-19(22)21-14-7-3-2-4-8-14)11-13-12-20-16-10-6-5-9-15(13)16/h2-12,23H,1H3/b13-11?,21-19+.
What are the key properties of 5-(indol-3-ylidenemethyl)-3-methyl-2-phenylimino-1,3-thiazol-4-ol?
5-(indol-3-ylidenemethyl)-3-methyl-2-phenylimino-1,3-thiazol-4-ol has a molecular weight of 333.42 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(indol-3-ylidenemethyl)-3-methyl-2-phenylimino-1,3-thiazol-4-ol is sourced from PubChem (CID 1229080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).