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

C18H13N3OS — CID 946042

IUPAC2-anilino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol
SMILESOc1nc(Nc2ccccc2)sc1C=C1C=Nc2ccccc21
InChIInChI=1S/C18H13N3OS/c22-17-16(10-12-11-19-15-9-5-4-8-14(12)15)23-18(21-17)20-13-6-2-1-3-7-13/h1-11,22H,(H,20,21)
InChIKeyXAKFGUJDOOSGLA-UHFFFAOYSA-N
MW319.39 g/mol
LogP4.85
Rot. Bonds3

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

2-anilino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol (PubChem CID 946042) has the molecular formula C18H13N3OS and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-anilino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-anilino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol
PubChem CID946042
Molecular FormulaC18H13N3OS
Molecular Weight319.39 g/mol
Exact Mass319.08
IUPAC Name2-anilino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol
SMILESOc1nc(Nc2ccccc2)sc1C=C1C=Nc2ccccc21
InChIInChI=1S/C18H13N3OS/c22-17-16(10-12-11-19-15-9-5-4-8-14(12)15)23-18(21-17)20-13-6-2-1-3-7-13/h1-11,22H,(H,20,21)
InChIKeyXAKFGUJDOOSGLA-UHFFFAOYSA-N
XLogP4.85
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol?
The IUPAC name of 2-anilino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol (CID 946042) is 2-anilino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-anilino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-anilino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol is Oc1nc(Nc2ccccc2)sc1C=C1C=Nc2ccccc21.
What is the InChIKey of 2-anilino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol?
The InChIKey is XAKFGUJDOOSGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS/c22-17-16(10-12-11-19-15-9-5-4-8-14(12)15)23-18(21-17)20-13-6-2-1-3-7-13/h1-11,22H,(H,20,21).
What are the key properties of 2-anilino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol?
2-anilino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol has a molecular weight of 319.39 g/mol, XLogP of 4.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol is sourced from PubChem (CID 946042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).