5-[hydroxy(1H-indol-3-yl)methyl]-3-methyl-2-sulfanylideneimidazolidin-4-one

C13H13N3O2S — CID 57377498

IUPAC5-[hydroxy(1H-indol-3-yl)methyl]-3-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCN1C(=O)C(C(O)c2c[nH]c3ccccc23)NC1=S
InChIInChI=1S/C13H13N3O2S/c1-16-12(18)10(15-13(16)19)11(17)8-6-14-9-5-3-2-4-7(8)9/h2-6,10-11,14,17H,1H3,(H,15,19)
InChIKeyZBFXLCQFHFFDRO-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.92
Rot. Bonds2

About 5-[hydroxy(1H-indol-3-yl)methyl]-3-methyl-2-sulfanylideneimidazolidin-4-one

5-[hydroxy(1H-indol-3-yl)methyl]-3-methyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 57377498) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-[hydroxy(1H-indol-3-yl)methyl]-3-methyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-[hydroxy(1H-indol-3-yl)methyl]-3-methyl-2-sulfanylideneimidazolidin-4-one
PubChem CID57377498
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name5-[hydroxy(1H-indol-3-yl)methyl]-3-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCN1C(=O)C(C(O)c2c[nH]c3ccccc23)NC1=S
InChIInChI=1S/C13H13N3O2S/c1-16-12(18)10(15-13(16)19)11(17)8-6-14-9-5-3-2-4-7(8)9/h2-6,10-11,14,17H,1H3,(H,15,19)
InChIKeyZBFXLCQFHFFDRO-UHFFFAOYSA-N
XLogP0.92
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[hydroxy(1H-indol-3-yl)methyl]-3-methyl-2-sulfanylideneimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-propan-2-yl-1H-indole
CID 12534824
5-[2-(1H-indol-3-yl)but-3-enyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 138966562
5-[1H-indol-3-yl(phenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 25098653
2-hydroxy-2-(1H-indol-3-yl)-N-methylacetamide
CID 83532275
(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
CID 130705083
(3R)-3-(1H-indol-3-yl)-2-oxobutanoic acid
CID 118796912
4-(1H-indol-3-yl)-2-methylhexan-1-ol
CID 174277465
3-(1H-indol-3-yl)pentanoic acid
CID 12616752
(3S)-3-(1H-indol-3-yl)pentanoic acid
CID 7446864
2-(1H-indol-3-yl)-2-(methylamino)acetic acid
CID 82469928
(2S)-2-[(1S)-1-(1H-indol-3-yl)ethyl]-5-(methylamino)-1,2-dihydropyrrol-3-one
CID 101192778
2-[acetyl(cyclopropyl)amino]-2-(1H-indol-3-yl)acetic acid
CID 83557663

Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy(1H-indol-3-yl)methyl]-3-methyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-[hydroxy(1H-indol-3-yl)methyl]-3-methyl-2-sulfanylideneimidazolidin-4-one (CID 57377498) is 5-[hydroxy(1H-indol-3-yl)methyl]-3-methyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-[hydroxy(1H-indol-3-yl)methyl]-3-methyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-[hydroxy(1H-indol-3-yl)methyl]-3-methyl-2-sulfanylideneimidazolidin-4-one is CN1C(=O)C(C(O)c2c[nH]c3ccccc23)NC1=S.
What is the InChIKey of 5-[hydroxy(1H-indol-3-yl)methyl]-3-methyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is ZBFXLCQFHFFDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-16-12(18)10(15-13(16)19)11(17)8-6-14-9-5-3-2-4-7(8)9/h2-6,10-11,14,17H,1H3,(H,15,19).
What are the key properties of 5-[hydroxy(1H-indol-3-yl)methyl]-3-methyl-2-sulfanylideneimidazolidin-4-one?
5-[hydroxy(1H-indol-3-yl)methyl]-3-methyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 275.33 g/mol, XLogP of 0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy(1H-indol-3-yl)methyl]-3-methyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 57377498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).