1-(4-bromo-3-methoxyphenyl)-3-ethylthiourea

C10H13BrN2OS — CID 115672650

IUPAC1-(4-bromo-3-methoxyphenyl)-3-ethylthiourea
SMILESCCNC(=S)Nc1ccc(Br)c(OC)c1
InChIInChI=1S/C10H13BrN2OS/c1-3-12-10(15)13-7-4-5-8(11)9(6-7)14-2/h4-6H,3H2,1-2H3,(H2,12,13,15)
InChIKeyNBWGKVSBNPAKCP-UHFFFAOYSA-N
MW289.20 g/mol
LogP2.76
Rot. Bonds3

About 1-(4-bromo-3-methoxyphenyl)-3-ethylthiourea

1-(4-bromo-3-methoxyphenyl)-3-ethylthiourea (PubChem CID 115672650) has the molecular formula C10H13BrN2OS and a molecular weight of 289.20 g/mol. Its IUPAC name is 1-(4-bromo-3-methoxyphenyl)-3-ethylthiourea.

Molecular Properties

Compound Name1-(4-bromo-3-methoxyphenyl)-3-ethylthiourea
PubChem CID115672650
Molecular FormulaC10H13BrN2OS
Molecular Weight289.20 g/mol
Exact Mass287.99
IUPAC Name1-(4-bromo-3-methoxyphenyl)-3-ethylthiourea
SMILESCCNC(=S)Nc1ccc(Br)c(OC)c1
InChIInChI=1S/C10H13BrN2OS/c1-3-12-10(15)13-7-4-5-8(11)9(6-7)14-2/h4-6H,3H2,1-2H3,(H2,12,13,15)
InChIKeyNBWGKVSBNPAKCP-UHFFFAOYSA-N
XLogP2.76
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-bromo-3-methoxyphenyl)-3-ethylthiourea 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-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]thiourea
CID 100591089
1-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-3-ethylthiourea
CID 6269940
N-(4-bromo-3-methoxyphenyl)-2-(ethylamino)-2-methylpropanamide
CID 82868301
N-(4-bromo-3-methoxyphenyl)-2-carbamothioyl-2-methylbutanamide
CID 82867900
N-(4-bromo-3-methoxyphenyl)-2-ethoxyacetamide
CID 79421127
3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 107980534
1-(3,4-dimethoxyphenyl)-3-octylthiourea
CID 19651030
2-amino-N-(4-bromo-3-methoxyphenyl)hexanamide
CID 115443247
chloromethyl N-(4-bromo-3-methoxyphenyl)carbamate
CID 164652567
1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea
CID 4993331
1-ethyl-3-(2-methoxyphenyl)thiourea
CID 686501
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzamide
CID 81424344

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methoxyphenyl)-3-ethylthiourea?
The IUPAC name of 1-(4-bromo-3-methoxyphenyl)-3-ethylthiourea (CID 115672650) is 1-(4-bromo-3-methoxyphenyl)-3-ethylthiourea.
What is the SMILES notation for 1-(4-bromo-3-methoxyphenyl)-3-ethylthiourea?
The canonical SMILES for 1-(4-bromo-3-methoxyphenyl)-3-ethylthiourea is CCNC(=S)Nc1ccc(Br)c(OC)c1.
What is the InChIKey of 1-(4-bromo-3-methoxyphenyl)-3-ethylthiourea?
The InChIKey is NBWGKVSBNPAKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2OS/c1-3-12-10(15)13-7-4-5-8(11)9(6-7)14-2/h4-6H,3H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-(4-bromo-3-methoxyphenyl)-3-ethylthiourea?
1-(4-bromo-3-methoxyphenyl)-3-ethylthiourea has a molecular weight of 289.20 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methoxyphenyl)-3-ethylthiourea is sourced from PubChem (CID 115672650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).