1-butyl-3-(furan-2-carbonylamino)thiourea

C10H15N3O2S — CID 4071290

IUPAC1-butyl-3-(furan-2-carbonylamino)thiourea
SMILESCCCCNC(=S)NNC(=O)c1ccco1
InChIInChI=1S/C10H15N3O2S/c1-2-3-6-11-10(16)13-12-9(14)8-5-4-7-15-8/h4-5,7H,2-3,6H2,1H3,(H,12,14)(H2,11,13,16)
InChIKeyNOOUPGABZCUYOG-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.19
Rot. Bonds4

About 1-butyl-3-(furan-2-carbonylamino)thiourea

1-butyl-3-(furan-2-carbonylamino)thiourea (PubChem CID 4071290) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-butyl-3-(furan-2-carbonylamino)thiourea.

Molecular Properties

Compound Name1-butyl-3-(furan-2-carbonylamino)thiourea
PubChem CID4071290
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name1-butyl-3-(furan-2-carbonylamino)thiourea
SMILESCCCCNC(=S)NNC(=O)c1ccco1
InChIInChI=1S/C10H15N3O2S/c1-2-3-6-11-10(16)13-12-9(14)8-5-4-7-15-8/h4-5,7H,2-3,6H2,1H3,(H,12,14)(H2,11,13,16)
InChIKeyNOOUPGABZCUYOG-UHFFFAOYSA-N
XLogP1.19
TPSA66.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

3-Amino-1-((furan-2-yl)methyl)thiourea
CID 722972
2-Furancarboxylic acid, hydrazide
CID 18731
2-((5-hex-1-yn-1-ylfuran-2-yl)carbonyl)-N-methylhydrazinecarbothioamide
CID 2823014
1-(Furan-2-ylmethyl)-3-(3-methylbutanoylamino)thiourea
CID 2027767
N-(2-furylmethyl)-2-(2-hydroxy-2-methylpropanoyl)hydrazinecarbothioamide
CID 2210524
N-morpholin-4-ylfuran-2-carboxamide
CID 2329857
N-{[(2-furylcarbonylamino)amino]thioxomethyl}benzamide
CID 2729195
2-(2-furoyl)-N-isobutylhydrazinecarbothioamide
CID 1767443
2-(2-furoyl)-N-(2-methoxyethyl)hydrazinecarbothioamide
CID 2208072
2-(5-bromo-2-furoyl)-N-butylhydrazinecarbothioamide
CID 5108935
2-(2-furoyl)-N-(2-methyl-2-propen-1-yl)hydrazinecarbothioamide
CID 2247488
2-Furancarboxylic acid, 2-(((phenylmethyl)amino)thioxomethyl)hydrazide
CID 865908

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(furan-2-carbonylamino)thiourea?
The IUPAC name of 1-butyl-3-(furan-2-carbonylamino)thiourea (CID 4071290) is 1-butyl-3-(furan-2-carbonylamino)thiourea.
What is the SMILES notation for 1-butyl-3-(furan-2-carbonylamino)thiourea?
The canonical SMILES for 1-butyl-3-(furan-2-carbonylamino)thiourea is CCCCNC(=S)NNC(=O)c1ccco1.
What is the InChIKey of 1-butyl-3-(furan-2-carbonylamino)thiourea?
The InChIKey is NOOUPGABZCUYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-2-3-6-11-10(16)13-12-9(14)8-5-4-7-15-8/h4-5,7H,2-3,6H2,1H3,(H,12,14)(H2,11,13,16).
What are the key properties of 1-butyl-3-(furan-2-carbonylamino)thiourea?
1-butyl-3-(furan-2-carbonylamino)thiourea has a molecular weight of 241.32 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(furan-2-carbonylamino)thiourea is sourced from PubChem (CID 4071290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).