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

C19H20N2OS2 — CID 135719271

IUPAC3-cyclohexyl-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione
SMILESCC1=Nc2ccccc2/C1=C/c1sc(=S)n(C2CCCCC2)c1O
InChIInChI=1S/C19H20N2OS2/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/h5-6,9-11,13,22H,2-4,7-8H2,1H3/b15-11+
InChIKeyGRWYQHNTKKSEFI-RVDMUPIBSA-N
MW356.52 g/mol
LogP6.14
Rot. Bonds2

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

3-cyclohexyl-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione (PubChem CID 135719271) has the molecular formula C19H20N2OS2 and a molecular weight of 356.52 g/mol. Its IUPAC name is 3-cyclohexyl-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-cyclohexyl-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione
PubChem CID135719271
Molecular FormulaC19H20N2OS2
Molecular Weight356.52 g/mol
Exact Mass356.10
IUPAC Name3-cyclohexyl-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione
SMILESCC1=Nc2ccccc2/C1=C/c1sc(=S)n(C2CCCCC2)c1O
InChIInChI=1S/C19H20N2OS2/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/h5-6,9-11,13,22H,2-4,7-8H2,1H3/b15-11+
InChIKeyGRWYQHNTKKSEFI-RVDMUPIBSA-N
XLogP6.14
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.52
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-2-(4-ethoxyphenyl)imino-5-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-thiazol-4-ol
CID 135494782
3-(3,4-dimethylphenyl)-4-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione
CID 135517592
4-hydroxy-3-(4-methoxyphenyl)-5-[(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione
CID 1238532
2-[4-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid
CID 135459114
3-(3-bromophenyl)-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione
CID 135659420
3-[4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-sulfanylidene-1,3-thiazol-3-yl]propanoic acid
CID 135648335
4-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-3-(pyridin-3-ylmethyl)-1,3-thiazole-2-thione
CID 2355825
3-cyclohexyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione
CID 3108382
5-[(2-methylindol-3-ylidene)methyl]-3-phenyl-2-phenylimino-1,3-thiazol-4-ol
CID 1205499
3-cyclopentyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione
CID 135398848
5-[(2-bromophenyl)iminomethyl]-3-cyclohexyl-4-hydroxy-1,3-thiazole-2-thione
CID 135398839
3-methyl-5-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(2-methylphenyl)imino-1,3-thiazol-4-ol
CID 135589576

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione?
The IUPAC name of 3-cyclohexyl-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione (CID 135719271) is 3-cyclohexyl-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione.
What is the SMILES notation for 3-cyclohexyl-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione?
The canonical SMILES for 3-cyclohexyl-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione is CC1=Nc2ccccc2/C1=C/c1sc(=S)n(C2CCCCC2)c1O.
What is the InChIKey of 3-cyclohexyl-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione?
The InChIKey is GRWYQHNTKKSEFI-RVDMUPIBSA-N. The full InChI is InChI=1S/C19H20N2OS2/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/h5-6,9-11,13,22H,2-4,7-8H2,1H3/b15-11+.
What are the key properties of 3-cyclohexyl-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione?
3-cyclohexyl-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione has a molecular weight of 356.52 g/mol, XLogP of 6.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-thiazole-2-thione is sourced from PubChem (CID 135719271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).