1-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-3-[(2S)-1-methoxypropan-2-yl]thiourea

C16H22N4O2S — CID 135747815

IUPAC1-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-3-[(2S)-1-methoxypropan-2-yl]thiourea
SMILESCCn1c(O)c(/N=N/C(=S)N[C@@H](C)COC)c2cc(C)ccc21
InChIInChI=1S/C16H22N4O2S/c1-5-20-13-7-6-10(2)8-12(13)14(15(20)21)18-19-16(23)17-11(3)9-22-4/h6-8,11,21H,5,9H2,1-4H3,(H,17,23)/b19-18+/t11-/m0/s1
InChIKeyKHQNJEPCLIDMNB-JPFDUWQRSA-N
MW334.45 g/mol
LogP3.67
Rot. Bonds5

About 1-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-3-[(2S)-1-methoxypropan-2-yl]thiourea

1-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-3-[(2S)-1-methoxypropan-2-yl]thiourea (PubChem CID 135747815) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 1-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-3-[(2S)-1-methoxypropan-2-yl]thiourea.

Molecular Properties

Compound Name1-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-3-[(2S)-1-methoxypropan-2-yl]thiourea
PubChem CID135747815
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name1-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-3-[(2S)-1-methoxypropan-2-yl]thiourea
SMILESCCn1c(O)c(/N=N/C(=S)N[C@@H](C)COC)c2cc(C)ccc21
InChIInChI=1S/C16H22N4O2S/c1-5-20-13-7-6-10(2)8-12(13)14(15(20)21)18-19-16(23)17-11(3)9-22-4/h6-8,11,21H,5,9H2,1-4H3,(H,17,23)/b19-18+/t11-/m0/s1
InChIKeyKHQNJEPCLIDMNB-JPFDUWQRSA-N
XLogP3.67
TPSA71.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 53.67
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-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-3-[(2S)-1-methoxypropan-2-yl]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

N'-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-N-propan-2-yloxamide
CID 135575866
1-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
CID 135747711
2-(4-chloro-2-methylphenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminopropanamide
CID 4500392
(2R)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(2-fluorophenoxy)propanamide
CID 135747864
N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide
CID 4500546
N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(3-methoxyanilino)acetamide
CID 166435290
1-(1-ethyl-5-fluoro-2-hydroxyindol-3-yl)imino-3-(4-methoxyphenyl)thiourea
CID 156828461
1-(6-aminocyclohepta-1,3-dien-1-yl)-3-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]iminothiourea
CID 156828497
1-[1-ethyl-2-hydroxy-5-(trifluoromethyl)indol-3-yl]imino-3-(3-methoxyphenyl)thiourea
CID 156828530
1-[2-hydroxy-1-(2-methylpropyl)indol-3-yl]imino-3-(2-methoxyethyl)thiourea
CID 2341281
N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino-2-(4-methoxyphenoxy)acetamide
CID 4503166
1-ethyl-5-methyl-3-[(2-nitrophenyl)diazenyl]indol-2-ol
CID 135819452

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-3-[(2S)-1-methoxypropan-2-yl]thiourea?
The IUPAC name of 1-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-3-[(2S)-1-methoxypropan-2-yl]thiourea (CID 135747815) is 1-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-3-[(2S)-1-methoxypropan-2-yl]thiourea.
What is the SMILES notation for 1-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-3-[(2S)-1-methoxypropan-2-yl]thiourea?
The canonical SMILES for 1-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-3-[(2S)-1-methoxypropan-2-yl]thiourea is CCn1c(O)c(/N=N/C(=S)N[C@@H](C)COC)c2cc(C)ccc21.
What is the InChIKey of 1-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-3-[(2S)-1-methoxypropan-2-yl]thiourea?
The InChIKey is KHQNJEPCLIDMNB-JPFDUWQRSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-5-20-13-7-6-10(2)8-12(13)14(15(20)21)18-19-16(23)17-11(3)9-22-4/h6-8,11,21H,5,9H2,1-4H3,(H,17,23)/b19-18+/t11-/m0/s1.
What are the key properties of 1-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-3-[(2S)-1-methoxypropan-2-yl]thiourea?
1-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-3-[(2S)-1-methoxypropan-2-yl]thiourea has a molecular weight of 334.45 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-3-[(2S)-1-methoxypropan-2-yl]thiourea is sourced from PubChem (CID 135747815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).