1-[(5-bromofuran-2-carbonyl)amino]-3-(2-methylpropyl)thiourea

C10H14BrN3O2S — CID 4180144

IUPAC1-[(5-bromofuran-2-carbonyl)amino]-3-(2-methylpropyl)thiourea
SMILESCC(C)CNC(=S)NNC(=O)c1ccc(Br)o1
InChIInChI=1S/C10H14BrN3O2S/c1-6(2)5-12-10(17)14-13-9(15)7-3-4-8(11)16-7/h3-4,6H,5H2,1-2H3,(H,13,15)(H2,12,14,17)
InChIKeyLGKBCYGCGQUVIZ-UHFFFAOYSA-N
MW320.21 g/mol
LogP1.81
Rot. Bonds3

About 1-[(5-bromofuran-2-carbonyl)amino]-3-(2-methylpropyl)thiourea

1-[(5-bromofuran-2-carbonyl)amino]-3-(2-methylpropyl)thiourea (PubChem CID 4180144) has the molecular formula C10H14BrN3O2S and a molecular weight of 320.21 g/mol. Its IUPAC name is 1-[(5-bromofuran-2-carbonyl)amino]-3-(2-methylpropyl)thiourea.

Molecular Properties

Compound Name1-[(5-bromofuran-2-carbonyl)amino]-3-(2-methylpropyl)thiourea
PubChem CID4180144
Molecular FormulaC10H14BrN3O2S
Molecular Weight320.21 g/mol
Exact Mass319.00
IUPAC Name1-[(5-bromofuran-2-carbonyl)amino]-3-(2-methylpropyl)thiourea
SMILESCC(C)CNC(=S)NNC(=O)c1ccc(Br)o1
InChIInChI=1S/C10H14BrN3O2S/c1-6(2)5-12-10(17)14-13-9(15)7-3-4-8(11)16-7/h3-4,6H,5H2,1-2H3,(H,13,15)(H2,12,14,17)
InChIKeyLGKBCYGCGQUVIZ-UHFFFAOYSA-N
XLogP1.81
TPSA66.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 51.81
H-Bond Donors ≤ 53
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-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide
CID 2292970
5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide
CID 64997202
5-bromo-N-[3-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 9323689
5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide
CID 55028916
5-bromo-N-(4-bromo-2-methylbutyl)furan-2-carboxamide
CID 114316711
5-bromo-N-(3-methoxy-2-methylpropyl)furan-2-carboxamide
CID 47431973
(2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid
CID 30077278
5-methyl-N-(2-methylpropyl)furan-2-carboxamide
CID 3644011
5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide
CID 81049675
3-[(5-bromofuran-2-carbonyl)amino]butanoic acid
CID 43240633
N-(3-amino-3-sulfanylidenepropyl)-5-bromofuran-2-carboxamide
CID 62665925
5-bromo-N-[4-(2-methylpropylsulfamoyl)phenyl]furan-2-carboxamide
CID 17105146

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-2-carbonyl)amino]-3-(2-methylpropyl)thiourea?
The IUPAC name of 1-[(5-bromofuran-2-carbonyl)amino]-3-(2-methylpropyl)thiourea (CID 4180144) is 1-[(5-bromofuran-2-carbonyl)amino]-3-(2-methylpropyl)thiourea.
What is the SMILES notation for 1-[(5-bromofuran-2-carbonyl)amino]-3-(2-methylpropyl)thiourea?
The canonical SMILES for 1-[(5-bromofuran-2-carbonyl)amino]-3-(2-methylpropyl)thiourea is CC(C)CNC(=S)NNC(=O)c1ccc(Br)o1.
What is the InChIKey of 1-[(5-bromofuran-2-carbonyl)amino]-3-(2-methylpropyl)thiourea?
The InChIKey is LGKBCYGCGQUVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2S/c1-6(2)5-12-10(17)14-13-9(15)7-3-4-8(11)16-7/h3-4,6H,5H2,1-2H3,(H,13,15)(H2,12,14,17).
What are the key properties of 1-[(5-bromofuran-2-carbonyl)amino]-3-(2-methylpropyl)thiourea?
1-[(5-bromofuran-2-carbonyl)amino]-3-(2-methylpropyl)thiourea has a molecular weight of 320.21 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromofuran-2-carbonyl)amino]-3-(2-methylpropyl)thiourea is sourced from PubChem (CID 4180144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).