4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazol-2-one

C19H14N2O2S — CID 1349272

IUPAC4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazol-2-one
SMILESCC1=Nc2ccccc2C1=Cc1sc(=O)n(-c2ccccc2)c1O
InChIInChI=1S/C19H14N2O2S/c1-12-15(14-9-5-6-10-16(14)20-12)11-17-18(22)21(19(23)24-17)13-7-3-2-4-8-13/h2-11,22H,1H3
InChIKeySTDBKAIOYDYOOF-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.25
Rot. Bonds2

About 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazol-2-one

4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazol-2-one (PubChem CID 1349272) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazol-2-one
PubChem CID1349272
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC Name4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazol-2-one
SMILESCC1=Nc2ccccc2C1=Cc1sc(=O)n(-c2ccccc2)c1O
InChIInChI=1S/C19H14N2O2S/c1-12-15(14-9-5-6-10-16(14)20-12)11-17-18(22)21(19(23)24-17)13-7-3-2-4-8-13/h2-11,22H,1H3
InChIKeySTDBKAIOYDYOOF-UHFFFAOYSA-N
XLogP4.25
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 135448748
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CID 135467645
CID 135467645
CID 1382767
CID 1382767
CID 136116885
CID 136116885
CID 1205911
CID 1205911
CID 1257275
CID 1257275
CID 1912882
CID 1912882
CID 1965633
CID 1965633
CID 135440866
CID 135440866
CID 135522043
CID 135522043
CID 1232278
CID 1232278

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazol-2-one (CID 1349272) is 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazol-2-one is CC1=Nc2ccccc2C1=Cc1sc(=O)n(-c2ccccc2)c1O.
What is the InChIKey of 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazol-2-one?
The InChIKey is STDBKAIOYDYOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c1-12-15(14-9-5-6-10-16(14)20-12)11-17-18(22)21(19(23)24-17)13-7-3-2-4-8-13/h2-11,22H,1H3.
What are the key properties of 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazol-2-one?
4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazol-2-one has a molecular weight of 334.40 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-1,3-thiazol-2-one is sourced from PubChem (CID 1349272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).