3-butyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one

C16H16N2O2S — CID 135440866

IUPAC3-butyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
SMILESCCCCn1c(O)c(/C=C2\C=Nc3ccccc32)sc1=O
InChIInChI=1S/C16H16N2O2S/c1-2-3-8-18-15(19)14(21-16(18)20)9-11-10-17-13-7-5-4-6-12(11)13/h4-7,9-10,19H,2-3,8H2,1H3/b11-9+
InChIKeyFGTZCOBXOBYWDW-PKNBQFBNSA-N
MW300.38 g/mol
LogP3.67
Rot. Bonds4

About 3-butyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one

3-butyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one (PubChem CID 135440866) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-butyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-butyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
PubChem CID135440866
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name3-butyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
SMILESCCCCn1c(O)c(/C=C2\C=Nc3ccccc32)sc1=O
InChIInChI=1S/C16H16N2O2S/c1-2-3-8-18-15(19)14(21-16(18)20)9-11-10-17-13-7-5-4-6-12(11)13/h4-7,9-10,19H,2-3,8H2,1H3/b11-9+
InChIKeyFGTZCOBXOBYWDW-PKNBQFBNSA-N
XLogP3.67
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one?
The IUPAC name of 3-butyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one (CID 135440866) is 3-butyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-butyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-butyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one is CCCCn1c(O)c(/C=C2\C=Nc3ccccc32)sc1=O.
What is the InChIKey of 3-butyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one?
The InChIKey is FGTZCOBXOBYWDW-PKNBQFBNSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-2-3-8-18-15(19)14(21-16(18)20)9-11-10-17-13-7-5-4-6-12(11)13/h4-7,9-10,19H,2-3,8H2,1H3/b11-9+.
What are the key properties of 3-butyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one?
3-butyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one has a molecular weight of 300.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 135440866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).