N-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]cyclohexanecarboxamide

C19H19N3O2S2 — CID 137263304

IUPACN-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]cyclohexanecarboxamide
SMILESO=C(Nn1c(O)c(/C=C2/C=Nc3ccccc32)sc1=S)C1CCCCC1
InChIInChI=1S/C19H19N3O2S2/c23-17(12-6-2-1-3-7-12)21-22-18(24)16(26-19(22)25)10-13-11-20-15-9-5-4-8-14(13)15/h4-5,8-12,24H,1-3,6-7H2,(H,21,23)/b13-10-
InChIKeySLSWCHZPAXVEAU-RAXLEYEMSA-N
MW385.51 g/mol
LogP4.89
Rot. Bonds3

About N-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]cyclohexanecarboxamide

N-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]cyclohexanecarboxamide (PubChem CID 137263304) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]cyclohexanecarboxamide
PubChem CID137263304
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC NameN-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]cyclohexanecarboxamide
SMILESO=C(Nn1c(O)c(/C=C2/C=Nc3ccccc32)sc1=S)C1CCCCC1
InChIInChI=1S/C19H19N3O2S2/c23-17(12-6-2-1-3-7-12)21-22-18(24)16(26-19(22)25)10-13-11-20-15-9-5-4-8-14(13)15/h4-5,8-12,24H,1-3,6-7H2,(H,21,23)/b13-10-
InChIKeySLSWCHZPAXVEAU-RAXLEYEMSA-N
XLogP4.89
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]propanoate
CID 135577590
2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-sulfanylidene-1,3-thiazol-3-yl]propanoic acid
CID 2873277
2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]-2-phenylacetate
CID 135679444
2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]-3-methylbutanoate
CID 135607770
(2S)-2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]butanoate
CID 135830604
2-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-sulfanylidene-1,3-thiazol-3-yl]butanedioic acid
CID 3852208
6-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid
CID 135460372
2-[4-[4-hydroxy-5-(indol-3-ylidenemethyl)-2-sulfanylidene-1,3-thiazol-3-yl]phenyl]acetic acid
CID 135995867
2-[2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]propanoylamino]propanoic acid
CID 135718273
4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-3-[(1R)-1-phenylethyl]-1,3-thiazole-2-thione
CID 135783846
2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]pentanoic acid
CID 135602442
4-hydroxy-N-[4-hydroxy-5-[(5-methoxyindol-3-ylidene)methyl]-2-sulfanylidene-1,3-thiazol-3-yl]benzamide
CID 135924899

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]cyclohexanecarboxamide (CID 137263304) is N-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]cyclohexanecarboxamide is O=C(Nn1c(O)c(/C=C2/C=Nc3ccccc32)sc1=S)C1CCCCC1.
What is the InChIKey of N-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]cyclohexanecarboxamide?
The InChIKey is SLSWCHZPAXVEAU-RAXLEYEMSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c23-17(12-6-2-1-3-7-12)21-22-18(24)16(26-19(22)25)10-13-11-20-15-9-5-4-8-14(13)15/h4-5,8-12,24H,1-3,6-7H2,(H,21,23)/b13-10-.
What are the key properties of N-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]cyclohexanecarboxamide?
N-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]cyclohexanecarboxamide has a molecular weight of 385.51 g/mol, XLogP of 4.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 137263304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).