2-imino-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylphenyl)-1,3-thiazol-4-ol

C19H15N3OS — CID 135718314

IUPAC2-imino-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylphenyl)-1,3-thiazol-4-ol
SMILES[H]/N=c1\sc(/C=C2\C=Nc3ccccc32)c(O)n1-c1ccccc1C
InChIInChI=1S/C19H15N3OS/c1-12-6-2-5-9-16(12)22-18(23)17(24-19(22)20)10-13-11-21-15-8-4-3-7-14(13)15/h2-11,20,23H,1H3/b13-10+,20-19-
InChIKeyPNGOFMKRWJTZJF-YIRDKJMBSA-N
MW333.42 g/mol
LogP4.29
Rot. Bonds2

About 2-imino-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylphenyl)-1,3-thiazol-4-ol

2-imino-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylphenyl)-1,3-thiazol-4-ol (PubChem CID 135718314) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 2-imino-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylphenyl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-imino-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylphenyl)-1,3-thiazol-4-ol
PubChem CID135718314
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name2-imino-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylphenyl)-1,3-thiazol-4-ol
SMILES[H]/N=c1\sc(/C=C2\C=Nc3ccccc32)c(O)n1-c1ccccc1C
InChIInChI=1S/C19H15N3OS/c1-12-6-2-5-9-16(12)22-18(23)17(24-19(22)20)10-13-11-21-15-8-4-3-7-14(13)15/h2-11,20,23H,1H3/b13-10+,20-19-
InChIKeyPNGOFMKRWJTZJF-YIRDKJMBSA-N
XLogP4.29
TPSA61.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-bromophenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazole-2-thione
CID 137272295
3-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-sulfanylidene-1,3-thiazol-3-yl]-4-methylbenzoic acid
CID 4514806
4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-2-one
CID 170996879
3-(4-ethylphenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
CID 137263318
3-(3,4-dichlorophenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
CID 137263324
2-(3,4-dimethylphenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-3-methyl-1,3-thiazol-4-ol
CID 135589537
5-(indol-3-ylidenemethyl)-3-methyl-2-phenylimino-1,3-thiazol-4-ol
CID 1229080
4-hydroxy-5-(indol-3-ylidenemethyl)-3-propyl-1,3-thiazol-2-one
CID 137085171
4-hydroxy-5-(indol-3-ylidenemethyl)-3-pyridin-3-yl-1,3-thiazole-2-thione
CID 1322802
3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-2-phenylimino-1,3-thiazol-4-ol
CID 135467632
3-ethyl-2-ethylimino-5-(indol-3-ylidenemethyl)-1,3-thiazol-4-ol
CID 599786
5-(indol-3-ylidenemethyl)-2,3-dimethylimidazol-4-ol
CID 136691181

Frequently Asked Questions

What is the IUPAC name of 2-imino-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylphenyl)-1,3-thiazol-4-ol?
The IUPAC name of 2-imino-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylphenyl)-1,3-thiazol-4-ol (CID 135718314) is 2-imino-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylphenyl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-imino-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylphenyl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-imino-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylphenyl)-1,3-thiazol-4-ol is [H]/N=c1\sc(/C=C2\C=Nc3ccccc32)c(O)n1-c1ccccc1C.
What is the InChIKey of 2-imino-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylphenyl)-1,3-thiazol-4-ol?
The InChIKey is PNGOFMKRWJTZJF-YIRDKJMBSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-12-6-2-5-9-16(12)22-18(23)17(24-19(22)20)10-13-11-21-15-8-4-3-7-14(13)15/h2-11,20,23H,1H3/b13-10+,20-19-.
What are the key properties of 2-imino-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylphenyl)-1,3-thiazol-4-ol?
2-imino-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylphenyl)-1,3-thiazol-4-ol has a molecular weight of 333.42 g/mol, XLogP of 4.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-5-[(Z)-indol-3-ylidenemethyl]-3-(2-methylphenyl)-1,3-thiazol-4-ol is sourced from PubChem (CID 135718314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).