1-[(2-hydroxybenzoyl)amino]-3-(3-iodophenyl)thiourea

C14H12IN3O2S — CID 155568819

IUPAC1-[(2-hydroxybenzoyl)amino]-3-(3-iodophenyl)thiourea
SMILESO=C(NNC(=S)Nc1cccc(I)c1)c1ccccc1O
InChIInChI=1S/C14H12IN3O2S/c15-9-4-3-5-10(8-9)16-14(21)18-17-13(20)11-6-1-2-7-12(11)19/h1-8,19H,(H,17,20)(H2,16,18,21)
InChIKeyMTUVUUDMZQCKFC-UHFFFAOYSA-N
MW413.24 g/mol
LogP2.63
Rot. Bonds2

About 1-[(2-hydroxybenzoyl)amino]-3-(3-iodophenyl)thiourea

1-[(2-hydroxybenzoyl)amino]-3-(3-iodophenyl)thiourea (PubChem CID 155568819) has the molecular formula C14H12IN3O2S and a molecular weight of 413.24 g/mol. Its IUPAC name is 1-[(2-hydroxybenzoyl)amino]-3-(3-iodophenyl)thiourea.

Molecular Properties

Compound Name1-[(2-hydroxybenzoyl)amino]-3-(3-iodophenyl)thiourea
PubChem CID155568819
Molecular FormulaC14H12IN3O2S
Molecular Weight413.24 g/mol
Exact Mass412.97
IUPAC Name1-[(2-hydroxybenzoyl)amino]-3-(3-iodophenyl)thiourea
SMILESO=C(NNC(=S)Nc1cccc(I)c1)c1ccccc1O
InChIInChI=1S/C14H12IN3O2S/c15-9-4-3-5-10(8-9)16-14(21)18-17-13(20)11-6-1-2-7-12(11)19/h1-8,19H,(H,17,20)(H2,16,18,21)
InChIKeyMTUVUUDMZQCKFC-UHFFFAOYSA-N
XLogP2.63
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.24
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Triiodosalicylanilide
CID 203445
1-[(4-Hydroxybenzoyl)amino]-3-phenylthiourea
CID 792312
N-[N'-(2-Hydroxy-benzoyl)-hydrazinocarbothioyl]-benzamide
CID 2136521
2-hydroxy-N-[(phenylcarbamothioyl)amino]benzamide
CID 2305168
1-(3,4-Dichlorophenyl)-3-[(2-hydroxybenzoyl)amino]thiourea
CID 24424330
N-[N'-(2-Hydroxy-benzoyl)-hydrazinocarbothioyl]-4-methyl-benzamide
CID 1728282
2-(2-Methoxybenzoyl)-N-phenylhydrazinecarbothioamide
CID 700995
4-Fluoro-N-[N'-(2-hydroxy-benzoyl)-hydrazinocarbothioyl]-benzamide
CID 1933071
1-[(2-Hydroxybenzoyl)amino]-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 8462580
N-(4-chlorophenyl)-2-[(2-hydroxyphenyl)carbonyl]hydrazinecarbothioamide
CID 8669499
1-[(2-Hydroxy-5-methoxybenzoyl)amino]-3-phenylthiourea
CID 143729330
1-[(2-Hydroxybenzoyl)amino]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 143729355

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxybenzoyl)amino]-3-(3-iodophenyl)thiourea?
The IUPAC name of 1-[(2-hydroxybenzoyl)amino]-3-(3-iodophenyl)thiourea (CID 155568819) is 1-[(2-hydroxybenzoyl)amino]-3-(3-iodophenyl)thiourea.
What is the SMILES notation for 1-[(2-hydroxybenzoyl)amino]-3-(3-iodophenyl)thiourea?
The canonical SMILES for 1-[(2-hydroxybenzoyl)amino]-3-(3-iodophenyl)thiourea is O=C(NNC(=S)Nc1cccc(I)c1)c1ccccc1O.
What is the InChIKey of 1-[(2-hydroxybenzoyl)amino]-3-(3-iodophenyl)thiourea?
The InChIKey is MTUVUUDMZQCKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12IN3O2S/c15-9-4-3-5-10(8-9)16-14(21)18-17-13(20)11-6-1-2-7-12(11)19/h1-8,19H,(H,17,20)(H2,16,18,21).
What are the key properties of 1-[(2-hydroxybenzoyl)amino]-3-(3-iodophenyl)thiourea?
1-[(2-hydroxybenzoyl)amino]-3-(3-iodophenyl)thiourea has a molecular weight of 413.24 g/mol, XLogP of 2.63, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxybenzoyl)amino]-3-(3-iodophenyl)thiourea is sourced from PubChem (CID 155568819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).