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

C20H17N3OS — CID 135467632

IUPAC3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol
SMILESCCn1c(O)c(/C=C2\C=Nc3ccccc32)s/c1=N/c1ccccc1
InChIInChI=1S/C20H17N3OS/c1-2-23-19(24)18(25-20(23)22-15-8-4-3-5-9-15)12-14-13-21-17-11-7-6-10-16(14)17/h3-13,24H,2H2,1H3/b14-12+,22-20+
InChIKeyXCBIDCWIGQALRB-FOAAXXMKSA-N
MW347.44 g/mol
LogP4.76
Rot. Bonds3

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

3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol (PubChem CID 135467632) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol.

Molecular Properties

Compound Name3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol
PubChem CID135467632
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol
SMILESCCn1c(O)c(/C=C2\C=Nc3ccccc32)s/c1=N/c1ccccc1
InChIInChI=1S/C20H17N3OS/c1-2-23-19(24)18(25-20(23)22-15-8-4-3-5-9-15)12-14-13-21-17-11-7-6-10-16(14)17/h3-13,24H,2H2,1H3/b14-12+,22-20+
InChIKeyXCBIDCWIGQALRB-FOAAXXMKSA-N
XLogP4.76
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)imino-3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
CID 135589567
3-ethyl-2-ethylimino-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
CID 135537913
3-ethyl-2-ethylimino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol
CID 599786
5-(indol-3-ylidenemethyl)-3-methyl-2-phenylimino-1,3-thiazol-4-ol
CID 1229080
3-ethyl-2-(2-ethylphenyl)imino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol
CID 1233465
5-[(E)-indol-3-ylidenemethyl]-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol
CID 135435743
2-(2,4-difluorophenyl)imino-3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
CID 135589557
3-cyclopentyl-5-[(E)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol
CID 135648196
2-(3,4-dimethylphenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-4-ol
CID 135589537
4-hydroxy-5-(indol-3-ylidenemethyl)-3-propyl-1,3-thiazol-2-one
CID 137085171
(2E)-5-[(Z)-indol-3-ylidenemethyl]-3-prop-2-enyl-2-pyridin-2-ylimino-1,3-thiazol-4-ol
CID 135711437
3-(diethylaminomethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one
CID 135912325

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol?
The IUPAC name of 3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol (CID 135467632) is 3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol.
What is the SMILES notation for 3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol?
The canonical SMILES for 3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol is CCn1c(O)c(/C=C2\C=Nc3ccccc32)s/c1=N/c1ccccc1.
What is the InChIKey of 3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol?
The InChIKey is XCBIDCWIGQALRB-FOAAXXMKSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-2-23-19(24)18(25-20(23)22-15-8-4-3-5-9-15)12-14-13-21-17-11-7-6-10-16(14)17/h3-13,24H,2H2,1H3/b14-12+,22-20+.
What are the key properties of 3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol?
3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol has a molecular weight of 347.44 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol is sourced from PubChem (CID 135467632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).