(2-hydroxy-1-methylindol-3-yl)iminothiourea;hydrate

C10H12N4O2S — CID 137263545

IUPAC(2-hydroxy-1-methylindol-3-yl)iminothiourea;hydrate
SMILESCn1c(O)c(/N=N/C(N)=S)c2ccccc21.O
InChIInChI=1S/C10H10N4OS.H2O/c1-14-7-5-3-2-4-6(7)8(9(14)15)12-13-10(11)16;/h2-5,15H,1H3,(H2,11,16);1H2/b13-12+;
InChIKeyXOGUHNBZJLHFEG-UEIGIMKUSA-N
MW252.30 g/mol
LogP1.39
Rot. Bonds1

About (2-hydroxy-1-methylindol-3-yl)iminothiourea;hydrate

(2-hydroxy-1-methylindol-3-yl)iminothiourea;hydrate (PubChem CID 137263545) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is (2-hydroxy-1-methylindol-3-yl)iminothiourea;hydrate.

Molecular Properties

Compound Name(2-hydroxy-1-methylindol-3-yl)iminothiourea;hydrate
PubChem CID137263545
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name(2-hydroxy-1-methylindol-3-yl)iminothiourea;hydrate
SMILESCn1c(O)c(/N=N/C(N)=S)c2ccccc21.O
InChIInChI=1S/C10H10N4OS.H2O/c1-14-7-5-3-2-4-6(7)8(9(14)15)12-13-10(11)16;/h2-5,15H,1H3,(H2,11,16);1H2/b13-12+;
InChIKeyXOGUHNBZJLHFEG-UEIGIMKUSA-N
XLogP1.39
TPSA107.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (2-hydroxy-1-methylindol-3-yl)iminothiourea;hydrate 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

1-(2-hydroxy-1-methylindol-3-yl)imino-2-phenylguanidine
CID 135529719
1-(2-hydroxy-1-methylindol-3-yl)imino-3-(2-phenylethyl)thiourea
CID 135597183
1,1-dibutyl-3-(2-hydroxy-1-methylindol-3-yl)iminothiourea
CID 20685
[2-hydroxy-1-(3-phenoxypropyl)indol-3-yl]iminothiourea
CID 135629735
N-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide
CID 966588
2-anilino-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 135951883
1-(2-hydroxy-1-methylindol-3-yl)imino-3-(3-sulfamoylphenyl)thiourea
CID 137215388
1-(4-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea
CID 135443748
1-(2-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea
CID 135495300
1-(4-bromophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea
CID 135443504
1-methyl-3-[(4-methylquinolin-2-yl)diazenyl]indol-2-ol
CID 135982575
N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylanilino)acetamide
CID 3371203

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-1-methylindol-3-yl)iminothiourea;hydrate?
The IUPAC name of (2-hydroxy-1-methylindol-3-yl)iminothiourea;hydrate (CID 137263545) is (2-hydroxy-1-methylindol-3-yl)iminothiourea;hydrate.
What is the SMILES notation for (2-hydroxy-1-methylindol-3-yl)iminothiourea;hydrate?
The canonical SMILES for (2-hydroxy-1-methylindol-3-yl)iminothiourea;hydrate is Cn1c(O)c(/N=N/C(N)=S)c2ccccc21.O.
What is the InChIKey of (2-hydroxy-1-methylindol-3-yl)iminothiourea;hydrate?
The InChIKey is XOGUHNBZJLHFEG-UEIGIMKUSA-N. The full InChI is InChI=1S/C10H10N4OS.H2O/c1-14-7-5-3-2-4-6(7)8(9(14)15)12-13-10(11)16;/h2-5,15H,1H3,(H2,11,16);1H2/b13-12+;.
What are the key properties of (2-hydroxy-1-methylindol-3-yl)iminothiourea;hydrate?
(2-hydroxy-1-methylindol-3-yl)iminothiourea;hydrate has a molecular weight of 252.30 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-1-methylindol-3-yl)iminothiourea;hydrate is sourced from PubChem (CID 137263545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).