5-(indol-3-ylidenemethyl)-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol

C21H19N3OS — CID 1229112

IUPAC5-(indol-3-ylidenemethyl)-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol
SMILESCC(C)n1c(O)c(C=C2C=Nc3ccccc32)s/c1=N\c1ccccc1
InChIInChI=1S/C21H19N3OS/c1-14(2)24-20(25)19(26-21(24)23-16-8-4-3-5-9-16)12-15-13-22-18-11-7-6-10-17(15)18/h3-14,25H,1-2H3/b15-12?,23-21-
InChIKeyQIITUPHRYCMGOM-BYLXRKKUSA-N
MW361.47 g/mol
LogP5.32
Rot. Bonds3

About 5-(indol-3-ylidenemethyl)-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol

5-(indol-3-ylidenemethyl)-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol (PubChem CID 1229112) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is 5-(indol-3-ylidenemethyl)-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol.

Molecular Properties

Compound Name5-(indol-3-ylidenemethyl)-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol
PubChem CID1229112
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name5-(indol-3-ylidenemethyl)-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol
SMILESCC(C)n1c(O)c(C=C2C=Nc3ccccc32)s/c1=N\c1ccccc1
InChIInChI=1S/C21H19N3OS/c1-14(2)24-20(25)19(26-21(24)23-16-8-4-3-5-9-16)12-15-13-22-18-11-7-6-10-17(15)18/h3-14,25H,1-2H3/b15-12?,23-21-
InChIKeyQIITUPHRYCMGOM-BYLXRKKUSA-N
XLogP5.32
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(indol-3-ylidenemethyl)-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol?
The IUPAC name of 5-(indol-3-ylidenemethyl)-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol (CID 1229112) is 5-(indol-3-ylidenemethyl)-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol.
What is the SMILES notation for 5-(indol-3-ylidenemethyl)-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol?
The canonical SMILES for 5-(indol-3-ylidenemethyl)-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol is CC(C)n1c(O)c(C=C2C=Nc3ccccc32)s/c1=N\c1ccccc1.
What is the InChIKey of 5-(indol-3-ylidenemethyl)-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol?
The InChIKey is QIITUPHRYCMGOM-BYLXRKKUSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-14(2)24-20(25)19(26-21(24)23-16-8-4-3-5-9-16)12-15-13-22-18-11-7-6-10-17(15)18/h3-14,25H,1-2H3/b15-12?,23-21-.
What are the key properties of 5-(indol-3-ylidenemethyl)-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol?
5-(indol-3-ylidenemethyl)-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol has a molecular weight of 361.47 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(indol-3-ylidenemethyl)-2-phenylimino-3-propan-2-yl-1,3-thiazol-4-ol is sourced from PubChem (CID 1229112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).