1-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylthiourea

C8H12N2O2S — CID 131207302

IUPAC1-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylthiourea
SMILESCNC(=S)NCC(O)c1ccco1
InChIInChI=1S/C8H12N2O2S/c1-9-8(13)10-5-6(11)7-3-2-4-12-7/h2-4,6,11H,5H2,1H3,(H2,9,10,13)
InChIKeyFRURIHRPUYZASB-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.41
Rot. Bonds3

About 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylthiourea

1-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylthiourea (PubChem CID 131207302) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylthiourea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylthiourea
PubChem CID131207302
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylthiourea
SMILESCNC(=S)NCC(O)c1ccco1
InChIInChI=1S/C8H12N2O2S/c1-9-8(13)10-5-6(11)7-3-2-4-12-7/h2-4,6,11H,5H2,1H3,(H2,9,10,13)
InChIKeyFRURIHRPUYZASB-UHFFFAOYSA-N
XLogP0.41
TPSA57.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-N-methylacetamide
CID 60901417
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]pentanediamide
CID 111102313
1-(furan-2-yl)-2-(2-methoxyethoxyamino)ethanol
CID 82721538
1-ethyl-3-[2-(furan-2-yl)-2-hydroxyethyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110937529
N-[2-(furan-2-yl)-2-hydroxyethyl]-2,2,4-trimethylpentanamide
CID 111971968
3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol
CID 103993461
N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methoxybutanamide
CID 110899101
N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 110889308
2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852360
2-(3,5-dimethylanilino)-1-(furan-2-yl)ethanol
CID 55025105
1-(furan-2-yl)-2-(3-methylbut-2-enylamino)ethanol
CID 106546957
5-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 110888986

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylthiourea?
The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylthiourea (CID 131207302) is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylthiourea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylthiourea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylthiourea is CNC(=S)NCC(O)c1ccco1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylthiourea?
The InChIKey is FRURIHRPUYZASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-9-8(13)10-5-6(11)7-3-2-4-12-7/h2-4,6,11H,5H2,1H3,(H2,9,10,13).
What are the key properties of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylthiourea?
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylthiourea has a molecular weight of 200.26 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylthiourea is sourced from PubChem (CID 131207302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).