1-[(5-bromo-2-hydroxybenzoyl)amino]-3-(4-bromophenyl)thiourea

C14H11Br2N3O2S — CID 143729295

IUPAC1-[(5-bromo-2-hydroxybenzoyl)amino]-3-(4-bromophenyl)thiourea
SMILESO=C(NNC(=S)Nc1ccc(Br)cc1)c1cc(Br)ccc1O
InChIInChI=1S/C14H11Br2N3O2S/c15-8-1-4-10(5-2-8)17-14(22)19-18-13(21)11-7-9(16)3-6-12(11)20/h1-7,20H,(H,18,21)(H2,17,19,22)
InChIKeyNPAGMCZBNWBRRX-UHFFFAOYSA-N
MW445.14 g/mol
LogP3.55
Rot. Bonds2

About 1-[(5-bromo-2-hydroxybenzoyl)amino]-3-(4-bromophenyl)thiourea

1-[(5-bromo-2-hydroxybenzoyl)amino]-3-(4-bromophenyl)thiourea (PubChem CID 143729295) has the molecular formula C14H11Br2N3O2S and a molecular weight of 445.14 g/mol. Its IUPAC name is 1-[(5-bromo-2-hydroxybenzoyl)amino]-3-(4-bromophenyl)thiourea.

Molecular Properties

Compound Name1-[(5-bromo-2-hydroxybenzoyl)amino]-3-(4-bromophenyl)thiourea
PubChem CID143729295
Molecular FormulaC14H11Br2N3O2S
Molecular Weight445.14 g/mol
Exact Mass442.89
IUPAC Name1-[(5-bromo-2-hydroxybenzoyl)amino]-3-(4-bromophenyl)thiourea
SMILESO=C(NNC(=S)Nc1ccc(Br)cc1)c1cc(Br)ccc1O
InChIInChI=1S/C14H11Br2N3O2S/c15-8-1-4-10(5-2-8)17-14(22)19-18-13(21)11-7-9(16)3-6-12(11)20/h1-7,20H,(H,18,21)(H2,17,19,22)
InChIKeyNPAGMCZBNWBRRX-UHFFFAOYSA-N
XLogP3.55
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.14
LogP ≤ 53.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide
CID 175557226
1-[(5-chloro-2-hydroxybenzoyl)amino]-3-(4-fluorophenyl)thiourea
CID 9096936
1-[(5-bromo-2-fluorobenzoyl)amino]-3-(4-propan-2-ylphenyl)thiourea
CID 9157687
1-[(5-bromo-2-hydroxybenzoyl)amino]-3-[(4-fluorophenyl)methyl]thiourea
CID 1295683
1-(4-bromophenyl)-3-(pyridine-4-carbonylamino)thiourea
CID 5043527
5-bromo-2-hydroxy-N-(4-methoxyphenyl)benzamide
CID 14963005
1-(1-benzofuran-2-carbonylamino)-3-(4-bromophenyl)thiourea
CID 11257786
methyl N-[(4-bromophenyl)carbamothioylamino]carbamate
CID 971874
1-(4-bromophenyl)-3-(thiophene-2-carbonylamino)thiourea
CID 18708934
1-(4-bromophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea
CID 24819542
1-(4-bromophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea
CID 12511424
5-bromo-N-(5-bromo-2-carbamothioylphenyl)-2-hydroxybenzamide
CID 107798660

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-hydroxybenzoyl)amino]-3-(4-bromophenyl)thiourea?
The IUPAC name of 1-[(5-bromo-2-hydroxybenzoyl)amino]-3-(4-bromophenyl)thiourea (CID 143729295) is 1-[(5-bromo-2-hydroxybenzoyl)amino]-3-(4-bromophenyl)thiourea.
What is the SMILES notation for 1-[(5-bromo-2-hydroxybenzoyl)amino]-3-(4-bromophenyl)thiourea?
The canonical SMILES for 1-[(5-bromo-2-hydroxybenzoyl)amino]-3-(4-bromophenyl)thiourea is O=C(NNC(=S)Nc1ccc(Br)cc1)c1cc(Br)ccc1O.
What is the InChIKey of 1-[(5-bromo-2-hydroxybenzoyl)amino]-3-(4-bromophenyl)thiourea?
The InChIKey is NPAGMCZBNWBRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2N3O2S/c15-8-1-4-10(5-2-8)17-14(22)19-18-13(21)11-7-9(16)3-6-12(11)20/h1-7,20H,(H,18,21)(H2,17,19,22).
What are the key properties of 1-[(5-bromo-2-hydroxybenzoyl)amino]-3-(4-bromophenyl)thiourea?
1-[(5-bromo-2-hydroxybenzoyl)amino]-3-(4-bromophenyl)thiourea has a molecular weight of 445.14 g/mol, XLogP of 3.55, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-hydroxybenzoyl)amino]-3-(4-bromophenyl)thiourea is sourced from PubChem (CID 143729295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).