3-ethyl-2-ethylimino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol

C16H17N3OS — CID 599786

IUPAC3-ethyl-2-ethylimino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol
SMILESCC/N=c1/sc(C=C2C=Nc3ccccc32)c(O)n1CC
InChIInChI=1S/C16H17N3OS/c1-3-17-16-19(4-2)15(20)14(21-16)9-11-10-18-13-8-6-5-7-12(11)13/h5-10,20H,3-4H2,1-2H3/b11-9?,17-16+
InChIKeyNQIAPVYWUQKYGU-LQNSZJBXSA-N
MW299.40 g/mol
LogP3.45
Rot. Bonds3

About 3-ethyl-2-ethylimino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol

3-ethyl-2-ethylimino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol (PubChem CID 599786) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-ethyl-2-ethylimino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name3-ethyl-2-ethylimino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol
PubChem CID599786
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name3-ethyl-2-ethylimino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol
SMILESCC/N=c1/sc(C=C2C=Nc3ccccc32)c(O)n1CC
InChIInChI=1S/C16H17N3OS/c1-3-17-16-19(4-2)15(20)14(21-16)9-11-10-18-13-8-6-5-7-12(11)13/h5-10,20H,3-4H2,1-2H3/b11-9?,17-16+
InChIKeyNQIAPVYWUQKYGU-LQNSZJBXSA-N
XLogP3.45
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-ethylimino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol?
The IUPAC name of 3-ethyl-2-ethylimino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol (CID 599786) is 3-ethyl-2-ethylimino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol.
What is the SMILES notation for 3-ethyl-2-ethylimino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol?
The canonical SMILES for 3-ethyl-2-ethylimino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol is CC/N=c1/sc(C=C2C=Nc3ccccc32)c(O)n1CC.
What is the InChIKey of 3-ethyl-2-ethylimino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol?
The InChIKey is NQIAPVYWUQKYGU-LQNSZJBXSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-3-17-16-19(4-2)15(20)14(21-16)9-11-10-18-13-8-6-5-7-12(11)13/h5-10,20H,3-4H2,1-2H3/b11-9?,17-16+.
What are the key properties of 3-ethyl-2-ethylimino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol?
3-ethyl-2-ethylimino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol has a molecular weight of 299.40 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-ethylimino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol is sourced from PubChem (CID 599786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).