1-[(2-hydroxy-1H-indol-3-yl)imino]-3-phenylthiourea

C15H12N4OS — CID 837253

IUPAC1-[(2-hydroxy-1H-indol-3-yl)imino]-3-phenylthiourea
SMILESOc1[nH]c2ccccc2c1/N=N/C(=S)Nc1ccccc1
InChIInChI=1S/C15H12N4OS/c20-14-13(11-8-4-5-9-12(11)17-14)18-19-15(21)16-10-6-2-1-3-7-10/h1-9,17,20H,(H,16,21)/b19-18+
InChIKeyMUJZVYLTQRFKQA-VHEBQXMUSA-N
MW296.36 g/mol
LogP4.35
Rot. Bonds2

About 1-[(2-hydroxy-1H-indol-3-yl)imino]-3-phenylthiourea

1-[(2-hydroxy-1H-indol-3-yl)imino]-3-phenylthiourea (PubChem CID 837253) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 1-[(2-hydroxy-1H-indol-3-yl)imino]-3-phenylthiourea.

Molecular Properties

Compound Name1-[(2-hydroxy-1H-indol-3-yl)imino]-3-phenylthiourea
PubChem CID837253
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name1-[(2-hydroxy-1H-indol-3-yl)imino]-3-phenylthiourea
SMILESOc1[nH]c2ccccc2c1/N=N/C(=S)Nc1ccccc1
InChIInChI=1S/C15H12N4OS/c20-14-13(11-8-4-5-9-12(11)17-14)18-19-15(21)16-10-6-2-1-3-7-10/h1-9,17,20H,(H,16,21)/b19-18+
InChIKeyMUJZVYLTQRFKQA-VHEBQXMUSA-N
XLogP4.35
TPSA72.77 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

Methisazone
CID 667492
1-(4-Methoxyphenyl)-3-[(2-oxo-3-indolyl)amino]thiourea
CID 947057
1-Methyl-3-(phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 2767481
3-(Phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 272989
Oxindole-Based Inhibitor 17
CID 135434964
Oxindole-Based Inhibitor 41
CID 135434978
Oxindole-Based Inhibitor 42
CID 135434979
4-{2-[(3Z)-5-amino-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}benzene-1-sulfonamide hydrochloride
CID 135434982
Oxindole-Based Inhibitor 50
CID 135434984
Oxindole-Based Inhibitor 51
CID 135434985
Hydrazinecarbothioamide, 2-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)-
CID 690109
Isatin 3-hydrazone
CID 16906

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-1H-indol-3-yl)imino]-3-phenylthiourea?
The IUPAC name of 1-[(2-hydroxy-1H-indol-3-yl)imino]-3-phenylthiourea (CID 837253) is 1-[(2-hydroxy-1H-indol-3-yl)imino]-3-phenylthiourea.
What is the SMILES notation for 1-[(2-hydroxy-1H-indol-3-yl)imino]-3-phenylthiourea?
The canonical SMILES for 1-[(2-hydroxy-1H-indol-3-yl)imino]-3-phenylthiourea is Oc1[nH]c2ccccc2c1/N=N/C(=S)Nc1ccccc1.
What is the InChIKey of 1-[(2-hydroxy-1H-indol-3-yl)imino]-3-phenylthiourea?
The InChIKey is MUJZVYLTQRFKQA-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H12N4OS/c20-14-13(11-8-4-5-9-12(11)17-14)18-19-15(21)16-10-6-2-1-3-7-10/h1-9,17,20H,(H,16,21)/b19-18+.
What are the key properties of 1-[(2-hydroxy-1H-indol-3-yl)imino]-3-phenylthiourea?
1-[(2-hydroxy-1H-indol-3-yl)imino]-3-phenylthiourea has a molecular weight of 296.36 g/mol, XLogP of 4.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-1H-indol-3-yl)imino]-3-phenylthiourea is sourced from PubChem (CID 837253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).