1-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3-(3-morpholin-4-ylpropyl)thiourea

C19H27N5O2S — CID 135733362

IUPAC1-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3-(3-morpholin-4-ylpropyl)thiourea
SMILESCC(C)c1ccc2[nH]c(O)c(/N=N/C(=S)NCCCN3CCOCC3)c2c1
InChIInChI=1S/C19H27N5O2S/c1-13(2)14-4-5-16-15(12-14)17(18(25)21-16)22-23-19(27)20-6-3-7-24-8-10-26-11-9-24/h4-5,12-13,21,25H,3,6-11H2,1-2H3,(H,20,27)/b23-22+
InChIKeyKOWNNLGXFGPHFI-GHVJWSGMSA-N
MW389.53 g/mol
LogP3.68
Rot. Bonds6

About 1-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3-(3-morpholin-4-ylpropyl)thiourea

1-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3-(3-morpholin-4-ylpropyl)thiourea (PubChem CID 135733362) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is 1-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3-(3-morpholin-4-ylpropyl)thiourea.

Molecular Properties

Compound Name1-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3-(3-morpholin-4-ylpropyl)thiourea
PubChem CID135733362
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC Name1-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3-(3-morpholin-4-ylpropyl)thiourea
SMILESCC(C)c1ccc2[nH]c(O)c(/N=N/C(=S)NCCCN3CCOCC3)c2c1
InChIInChI=1S/C19H27N5O2S/c1-13(2)14-4-5-16-15(12-14)17(18(25)21-16)22-23-19(27)20-6-3-7-24-8-10-26-11-9-24/h4-5,12-13,21,25H,3,6-11H2,1-2H3,(H,20,27)/b23-22+
InChIKeyKOWNNLGXFGPHFI-GHVJWSGMSA-N
XLogP3.68
TPSA85.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3-(3-morpholin-4-ylpropyl)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-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 135612456
3-morpholin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43205019
1-(4-fluoroanilino)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8669181
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-morpholin-4-ylacetamide;hydrochloride
CID 135770325
3-(3-morpholin-4-ylpropyl)-6-propan-2-yl-1H-benzimidazol-2-one
CID 67559893
1-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
CID 8615388
6-fluoro-N-(4-morpholin-4-ylbutyl)-4-oxo-1H-quinoline-2-carboxamide;methanesulfonic acid
CID 163332628
2-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzamide
CID 110764588
(2R)-N-(3-morpholin-4-ylpropyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 92679375
6-methyl-N-(3-morpholin-4-ylpropyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 3500045
1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9216219
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3-(3-morpholin-4-ylpropyl)thiourea?
The IUPAC name of 1-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3-(3-morpholin-4-ylpropyl)thiourea (CID 135733362) is 1-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3-(3-morpholin-4-ylpropyl)thiourea.
What is the SMILES notation for 1-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3-(3-morpholin-4-ylpropyl)thiourea?
The canonical SMILES for 1-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3-(3-morpholin-4-ylpropyl)thiourea is CC(C)c1ccc2[nH]c(O)c(/N=N/C(=S)NCCCN3CCOCC3)c2c1.
What is the InChIKey of 1-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3-(3-morpholin-4-ylpropyl)thiourea?
The InChIKey is KOWNNLGXFGPHFI-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-13(2)14-4-5-16-15(12-14)17(18(25)21-16)22-23-19(27)20-6-3-7-24-8-10-26-11-9-24/h4-5,12-13,21,25H,3,6-11H2,1-2H3,(H,20,27)/b23-22+.
What are the key properties of 1-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3-(3-morpholin-4-ylpropyl)thiourea?
1-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3-(3-morpholin-4-ylpropyl)thiourea has a molecular weight of 389.53 g/mol, XLogP of 3.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3-(3-morpholin-4-ylpropyl)thiourea is sourced from PubChem (CID 135733362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).