5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-ethyl-4-hydroxy-1,3-thiazol-2-one

C14H11BrN2O2S — CID 135504605

IUPAC5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-ethyl-4-hydroxy-1,3-thiazol-2-one
SMILESCCn1c(O)c(/C=C2\C=Nc3ccc(Br)cc32)sc1=O
InChIInChI=1S/C14H11BrN2O2S/c1-2-17-13(18)12(20-14(17)19)5-8-7-16-11-4-3-9(15)6-10(8)11/h3-7,18H,2H2,1H3/b8-5+
InChIKeyDWUUJXCBNNNQNL-VMPITWQZSA-N
MW351.23 g/mol
LogP3.65
Rot. Bonds2

About 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-ethyl-4-hydroxy-1,3-thiazol-2-one

5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-ethyl-4-hydroxy-1,3-thiazol-2-one (PubChem CID 135504605) has the molecular formula C14H11BrN2O2S and a molecular weight of 351.23 g/mol. Its IUPAC name is 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-ethyl-4-hydroxy-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-ethyl-4-hydroxy-1,3-thiazol-2-one
PubChem CID135504605
Molecular FormulaC14H11BrN2O2S
Molecular Weight351.23 g/mol
Exact Mass349.97
IUPAC Name5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-ethyl-4-hydroxy-1,3-thiazol-2-one
SMILESCCn1c(O)c(/C=C2\C=Nc3ccc(Br)cc32)sc1=O
InChIInChI=1S/C14H11BrN2O2S/c1-2-17-13(18)12(20-14(17)19)5-8-7-16-11-4-3-9(15)6-10(8)11/h3-7,18H,2H2,1H3/b8-5+
InChIKeyDWUUJXCBNNNQNL-VMPITWQZSA-N
XLogP3.65
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-ethyl-4-hydroxy-1,3-thiazol-2-one?
The IUPAC name of 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-ethyl-4-hydroxy-1,3-thiazol-2-one (CID 135504605) is 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-ethyl-4-hydroxy-1,3-thiazol-2-one.
What is the SMILES notation for 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-ethyl-4-hydroxy-1,3-thiazol-2-one?
The canonical SMILES for 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-ethyl-4-hydroxy-1,3-thiazol-2-one is CCn1c(O)c(/C=C2\C=Nc3ccc(Br)cc32)sc1=O.
What is the InChIKey of 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-ethyl-4-hydroxy-1,3-thiazol-2-one?
The InChIKey is DWUUJXCBNNNQNL-VMPITWQZSA-N. The full InChI is InChI=1S/C14H11BrN2O2S/c1-2-17-13(18)12(20-14(17)19)5-8-7-16-11-4-3-9(15)6-10(8)11/h3-7,18H,2H2,1H3/b8-5+.
What are the key properties of 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-ethyl-4-hydroxy-1,3-thiazol-2-one?
5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-ethyl-4-hydroxy-1,3-thiazol-2-one has a molecular weight of 351.23 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(5-bromoindol-3-ylidene)methyl]-3-ethyl-4-hydroxy-1,3-thiazol-2-one is sourced from PubChem (CID 135504605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).