4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(pyridin-3-ylmethyl)-1,3-thiazole-2-thione

C19H15N3OS2 — CID 2355825

IUPAC4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(pyridin-3-ylmethyl)-1,3-thiazole-2-thione
SMILESCC1=Nc2ccccc2C1=Cc1sc(=S)n(Cc2cccnc2)c1O
InChIInChI=1S/C19H15N3OS2/c1-12-15(14-6-2-3-7-16(14)21-12)9-17-18(23)22(19(24)25-17)11-13-5-4-8-20-10-13/h2-10,23H,11H2,1H3
InChIKeyHRQOCAGYMASINU-UHFFFAOYSA-N
MW365.48 g/mol
LogP5.07
Rot. Bonds3

About 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(pyridin-3-ylmethyl)-1,3-thiazole-2-thione

4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(pyridin-3-ylmethyl)-1,3-thiazole-2-thione (PubChem CID 2355825) has the molecular formula C19H15N3OS2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(pyridin-3-ylmethyl)-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(pyridin-3-ylmethyl)-1,3-thiazole-2-thione
PubChem CID2355825
Molecular FormulaC19H15N3OS2
Molecular Weight365.48 g/mol
Exact Mass365.07
IUPAC Name4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(pyridin-3-ylmethyl)-1,3-thiazole-2-thione
SMILESCC1=Nc2ccccc2C1=Cc1sc(=S)n(Cc2cccnc2)c1O
InChIInChI=1S/C19H15N3OS2/c1-12-15(14-6-2-3-7-16(14)21-12)9-17-18(23)22(19(24)25-17)11-13-5-4-8-20-10-13/h2-10,23H,11H2,1H3
InChIKeyHRQOCAGYMASINU-UHFFFAOYSA-N
XLogP5.07
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-4-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione
CID 135489918
5-[(Z)-(2,5-dimethylindol-3-ylidene)methyl]-3-ethyl-4-hydroxy-1,3-thiazole-2-thione
CID 137268672
4-hydroxy-3-(4-methoxyphenyl)-5-[(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione
CID 1238532
3-(3-bromophenyl)-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione
CID 135659420
4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-phenacyl-1,3-thiazol-2-one
CID 137117414
2-[4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]-N-(4-methylphenyl)acetamide
CID 1229232
4-[4-hydroxy-5-[(2-methoxycarbonylindol-3-ylidene)methyl]-2-sulfanylidene-1,3-thiazol-3-yl]butanoic acid
CID 135925046
5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-2-phenylimino-1,3-thiazol-4-ol
CID 1205499
N-(2,4-difluorophenyl)-2-[4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-oxo-1,3-thiazol-3-yl]acetamide
CID 135717380
3-ethyl-4-hydroxy-5-(pyrrolo[3,2-b]pyridin-3-ylidenemethyl)-1,3-thiazole-2-thione
CID 172749622
3-benzyl-4-hydroxy-5-[(E)-(3-phenylpyrazol-4-ylidene)methyl]-1,3-thiazole-2-thione
CID 135490133
3-cyclohexyl-2-(4-ethoxyphenyl)imino-5-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol
CID 135494782

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(pyridin-3-ylmethyl)-1,3-thiazole-2-thione?
The IUPAC name of 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(pyridin-3-ylmethyl)-1,3-thiazole-2-thione (CID 2355825) is 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(pyridin-3-ylmethyl)-1,3-thiazole-2-thione.
What is the SMILES notation for 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(pyridin-3-ylmethyl)-1,3-thiazole-2-thione?
The canonical SMILES for 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(pyridin-3-ylmethyl)-1,3-thiazole-2-thione is CC1=Nc2ccccc2C1=Cc1sc(=S)n(Cc2cccnc2)c1O.
What is the InChIKey of 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(pyridin-3-ylmethyl)-1,3-thiazole-2-thione?
The InChIKey is HRQOCAGYMASINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS2/c1-12-15(14-6-2-3-7-16(14)21-12)9-17-18(23)22(19(24)25-17)11-13-5-4-8-20-10-13/h2-10,23H,11H2,1H3.
What are the key properties of 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(pyridin-3-ylmethyl)-1,3-thiazole-2-thione?
4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(pyridin-3-ylmethyl)-1,3-thiazole-2-thione has a molecular weight of 365.48 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(pyridin-3-ylmethyl)-1,3-thiazole-2-thione is sourced from PubChem (CID 2355825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).