4-hydroxy-5-(indol-3-ylidenemethyl)-3-propyl-1,3-thiazol-2-one

C15H14N2O2S — CID 137085171

IUPAC4-hydroxy-5-(indol-3-ylidenemethyl)-3-propyl-1,3-thiazol-2-one
SMILESCCCn1c(O)c(C=C2C=Nc3ccccc32)sc1=O
InChIInChI=1S/C15H14N2O2S/c1-2-7-17-14(18)13(20-15(17)19)8-10-9-16-12-6-4-3-5-11(10)12/h3-6,8-9,18H,2,7H2,1H3
InChIKeyOETBTJIUDSAZMT-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.28
Rot. Bonds3

About 4-hydroxy-5-(indol-3-ylidenemethyl)-3-propyl-1,3-thiazol-2-one

4-hydroxy-5-(indol-3-ylidenemethyl)-3-propyl-1,3-thiazol-2-one (PubChem CID 137085171) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 4-hydroxy-5-(indol-3-ylidenemethyl)-3-propyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-(indol-3-ylidenemethyl)-3-propyl-1,3-thiazol-2-one
PubChem CID137085171
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name4-hydroxy-5-(indol-3-ylidenemethyl)-3-propyl-1,3-thiazol-2-one
SMILESCCCn1c(O)c(C=C2C=Nc3ccccc32)sc1=O
InChIInChI=1S/C15H14N2O2S/c1-2-7-17-14(18)13(20-15(17)19)8-10-9-16-12-6-4-3-5-11(10)12/h3-6,8-9,18H,2,7H2,1H3
InChIKeyOETBTJIUDSAZMT-UHFFFAOYSA-N
XLogP3.28
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(diethylaminomethyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one
CID 135912325
4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-2-one
CID 170996879
ethyl 2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1,3-thiazol-3-yl]acetate
CID 135440828
4-hydroxy-5-(indol-3-ylidenemethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-one
CID 135912324
4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-(2-naphthalen-1-yloxyethyl)-1,3-thiazol-2-one
CID 135968366
3-hexyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione
CID 135719223
3-(4-ethylphenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
CID 137263318
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
3-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-oxo-1,3-thiazol-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide
CID 4898489
4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-one
CID 135460586
3-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-5-(indol-3-ylidenemethyl)-1,3-thiazol-2-one
CID 3615060

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(indol-3-ylidenemethyl)-3-propyl-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-(indol-3-ylidenemethyl)-3-propyl-1,3-thiazol-2-one (CID 137085171) is 4-hydroxy-5-(indol-3-ylidenemethyl)-3-propyl-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-(indol-3-ylidenemethyl)-3-propyl-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-(indol-3-ylidenemethyl)-3-propyl-1,3-thiazol-2-one is CCCn1c(O)c(C=C2C=Nc3ccccc32)sc1=O.
What is the InChIKey of 4-hydroxy-5-(indol-3-ylidenemethyl)-3-propyl-1,3-thiazol-2-one?
The InChIKey is OETBTJIUDSAZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-2-7-17-14(18)13(20-15(17)19)8-10-9-16-12-6-4-3-5-11(10)12/h3-6,8-9,18H,2,7H2,1H3.
What are the key properties of 4-hydroxy-5-(indol-3-ylidenemethyl)-3-propyl-1,3-thiazol-2-one?
4-hydroxy-5-(indol-3-ylidenemethyl)-3-propyl-1,3-thiazol-2-one has a molecular weight of 286.36 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(indol-3-ylidenemethyl)-3-propyl-1,3-thiazol-2-one is sourced from PubChem (CID 137085171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).