1-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-(3-methoxyphenyl)thiourea

C19H20N4O2S — CID 135763311

IUPAC1-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-(3-methoxyphenyl)thiourea
SMILESCOc1cccc(NC(=S)/N=N/c2c(O)n(C(C)C)c3ccccc23)c1
InChIInChI=1S/C19H20N4O2S/c1-12(2)23-16-10-5-4-9-15(16)17(18(23)24)21-22-19(26)20-13-7-6-8-14(11-13)25-3/h4-12,24H,1-3H3,(H,20,26)/b22-21+
InChIKeyYTOBYKLAVSOSHH-QURGRASLSA-N
MW368.46 g/mol
LogP5.42
Rot. Bonds4

About 1-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-(3-methoxyphenyl)thiourea

1-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-(3-methoxyphenyl)thiourea (PubChem CID 135763311) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-(3-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-(3-methoxyphenyl)thiourea
PubChem CID135763311
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name1-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-(3-methoxyphenyl)thiourea
SMILESCOc1cccc(NC(=S)/N=N/c2c(O)n(C(C)C)c3ccccc23)c1
InChIInChI=1S/C19H20N4O2S/c1-12(2)23-16-10-5-4-9-15(16)17(18(23)24)21-22-19(26)20-13-7-6-8-14(11-13)25-3/h4-12,24H,1-3H3,(H,20,26)/b22-21+
InChIKeyYTOBYKLAVSOSHH-QURGRASLSA-N
XLogP5.42
TPSA71.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.46
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-(3-methoxyphenyl)thiourea 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-(3,4-dimethoxyphenyl)-3-(2-hydroxy-1-propan-2-ylindol-3-yl)iminothiourea
CID 4650752
1-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-methylthiourea
CID 3947089
1-[1-ethyl-2-hydroxy-5-(trifluoromethyl)indol-3-yl]imino-3-(3-methoxyphenyl)thiourea
CID 156828530
1-(3,4-dimethoxyphenyl)-3-(1-ethyl-2-hydroxyindol-3-yl)iminothiourea
CID 4684016
1-(2-hydroxy-1-methylindol-3-yl)imino-3-(3-sulfamoylphenyl)thiourea
CID 137215388
N,N'-bis[(2-hydroxy-5-methoxy-1-propan-2-ylindol-3-yl)imino]pentanediamide
CID 4505123
1-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-3-(3-methoxyphenyl)thiourea
CID 135763300
1-(3-chloro-4-methoxyphenyl)-3-[2-hydroxy-1-[(3-methylphenyl)methyl]indol-3-yl]iminothiourea
CID 4124725
2-chloro-N-[3-[(2-hydroxy-5-methoxy-1-propan-2-ylindol-3-yl)diazenyl]-3-oxopropyl]benzamide
CID 4505298
1-(1-ethyl-5-fluoro-2-hydroxyindol-3-yl)imino-3-(4-methoxyphenyl)thiourea
CID 156828461
3-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]-1-propan-2-ylindol-2-ol
CID 3406279
1-[2-hydroxy-1-methyl-5-(trifluoromethyl)indol-3-yl]imino-3-(4-methoxyphenyl)thiourea
CID 156828499

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-(3-methoxyphenyl)thiourea?
The IUPAC name of 1-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-(3-methoxyphenyl)thiourea (CID 135763311) is 1-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-(3-methoxyphenyl)thiourea.
What is the SMILES notation for 1-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-(3-methoxyphenyl)thiourea?
The canonical SMILES for 1-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-(3-methoxyphenyl)thiourea is COc1cccc(NC(=S)/N=N/c2c(O)n(C(C)C)c3ccccc23)c1.
What is the InChIKey of 1-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-(3-methoxyphenyl)thiourea?
The InChIKey is YTOBYKLAVSOSHH-QURGRASLSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-12(2)23-16-10-5-4-9-15(16)17(18(23)24)21-22-19(26)20-13-7-6-8-14(11-13)25-3/h4-12,24H,1-3H3,(H,20,26)/b22-21+.
What are the key properties of 1-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-(3-methoxyphenyl)thiourea?
1-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-(3-methoxyphenyl)thiourea has a molecular weight of 368.46 g/mol, XLogP of 5.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-(3-methoxyphenyl)thiourea is sourced from PubChem (CID 135763311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).