1-(furan-2-ylmethyl)-3-[(2-hydroxy-2-methylpropanoyl)amino]thiourea

C10H15N3O3S — CID 2210524

IUPAC1-(furan-2-ylmethyl)-3-[(2-hydroxy-2-methylpropanoyl)amino]thiourea
SMILESCC(C)(O)C(=O)NNC(=S)NCc1ccco1
InChIInChI=1S/C10H15N3O3S/c1-10(2,15)8(14)12-13-9(17)11-6-7-4-3-5-16-7/h3-5,15H,6H2,1-2H3,(H,12,14)(H2,11,13,17)
InChIKeyODBPDYCKYYCZIS-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.05
Rot. Bonds3

About 1-(furan-2-ylmethyl)-3-[(2-hydroxy-2-methylpropanoyl)amino]thiourea

1-(furan-2-ylmethyl)-3-[(2-hydroxy-2-methylpropanoyl)amino]thiourea (PubChem CID 2210524) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[(2-hydroxy-2-methylpropanoyl)amino]thiourea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[(2-hydroxy-2-methylpropanoyl)amino]thiourea
PubChem CID2210524
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name1-(furan-2-ylmethyl)-3-[(2-hydroxy-2-methylpropanoyl)amino]thiourea
SMILESCC(C)(O)C(=O)NNC(=S)NCc1ccco1
InChIInChI=1S/C10H15N3O3S/c1-10(2,15)8(14)12-13-9(17)11-6-7-4-3-5-16-7/h3-5,15H,6H2,1-2H3,(H,12,14)(H2,11,13,17)
InChIKeyODBPDYCKYYCZIS-UHFFFAOYSA-N
XLogP0.05
TPSA86.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

3-Amino-1-((furan-2-yl)methyl)thiourea
CID 722972
[(Furan-2-yl)methyl]thiourea
CID 717699
1-(Furan-2-ylmethyl)-3-(3-methylbutanoylamino)thiourea
CID 2027767
2-(2-furoyl)-N-isobutylhydrazinecarbothioamide
CID 1767443
2-(2-furoyl)-N-(2-methoxyethyl)hydrazinecarbothioamide
CID 2208072
1-Butyl-3-[[2-furanyl(oxo)methyl]amino]thiourea
CID 4071290
2-(2-furoyl)-N-(2-methyl-2-propen-1-yl)hydrazinecarbothioamide
CID 2247488
1-Ethyl-3-(furan-2-ylmethyl)thiourea
CID 920377
2-Furancarboxylic acid, 2-(((phenylmethyl)amino)thioxomethyl)hydrazide
CID 865908
N-(tert-butyl)-N'-(2-furylmethyl)thiourea
CID 2900989
N-allyl-2-(2-furoyl)hydrazinecarbothioamide
CID 1719062
N-{[(2-furylmethyl)amino]carbonothioyl}-3,3-dimethylbutanamide
CID 1572934

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[(2-hydroxy-2-methylpropanoyl)amino]thiourea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[(2-hydroxy-2-methylpropanoyl)amino]thiourea (CID 2210524) is 1-(furan-2-ylmethyl)-3-[(2-hydroxy-2-methylpropanoyl)amino]thiourea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[(2-hydroxy-2-methylpropanoyl)amino]thiourea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[(2-hydroxy-2-methylpropanoyl)amino]thiourea is CC(C)(O)C(=O)NNC(=S)NCc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[(2-hydroxy-2-methylpropanoyl)amino]thiourea?
The InChIKey is ODBPDYCKYYCZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-10(2,15)8(14)12-13-9(17)11-6-7-4-3-5-16-7/h3-5,15H,6H2,1-2H3,(H,12,14)(H2,11,13,17).
What are the key properties of 1-(furan-2-ylmethyl)-3-[(2-hydroxy-2-methylpropanoyl)amino]thiourea?
1-(furan-2-ylmethyl)-3-[(2-hydroxy-2-methylpropanoyl)amino]thiourea has a molecular weight of 257.31 g/mol, XLogP of 0.05, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[(2-hydroxy-2-methylpropanoyl)amino]thiourea is sourced from PubChem (CID 2210524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).