1-(furan-2-ylmethyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea

C11H16N2O2S — CID 972556

IUPAC1-(furan-2-ylmethyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea
SMILESS=C(NCc1ccco1)NC[C@@H]1CCCO1
InChIInChI=1S/C11H16N2O2S/c16-11(12-7-9-3-1-5-14-9)13-8-10-4-2-6-15-10/h1,3,5,10H,2,4,6-8H2,(H2,12,13,16)/t10-/m0/s1
InChIKeyJGEIDGRFUMKSQQ-JTQLQIEISA-N
MW240.33 g/mol
LogP1.42
Rot. Bonds4

About 1-(furan-2-ylmethyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea

1-(furan-2-ylmethyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea (PubChem CID 972556) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea
PubChem CID972556
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-(furan-2-ylmethyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea
SMILESS=C(NCc1ccco1)NC[C@@H]1CCCO1
InChIInChI=1S/C11H16N2O2S/c16-11(12-7-9-3-1-5-14-9)13-8-10-4-2-6-15-10/h1,3,5,10H,2,4,6-8H2,(H2,12,13,16)/t10-/m0/s1
InChIKeyJGEIDGRFUMKSQQ-JTQLQIEISA-N
XLogP1.42
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(oxolan-2-ylmethyl)thiourea
CID 19653607
1-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 9114927
1-(oxolan-2-ylmethyl)-3-(thiophen-2-ylmethyl)thiourea
CID 2956318
1-[[(2S)-oxolan-2-yl]methyl]-3-(thiophen-2-ylmethyl)thiourea
CID 970924
N-(furan-2-ylmethyl)-1-(oxan-2-yl)methanamine
CID 43403599
1-benzyl-3-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]thiourea
CID 2448710
4-N-(furan-2-ylmethyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083258
1-(2-aminophenyl)-3-(oxolan-2-ylmethyl)thiourea
CID 131865654
1-[[(2R)-oxolan-2-yl]methyl]-3-(pyridin-3-ylmethyl)thiourea
CID 51428347
4-[(oxolan-2-ylmethylcarbamothioylamino)methyl]benzoic acid
CID 2955391
4-[[[(2R)-oxolan-2-yl]methylcarbamothioylamino]methyl]benzoic acid
CID 970287
1-(oxolan-2-ylmethyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea
CID 43077068

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea (CID 972556) is 1-(furan-2-ylmethyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea is S=C(NCc1ccco1)NC[C@@H]1CCCO1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea?
The InChIKey is JGEIDGRFUMKSQQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2O2S/c16-11(12-7-9-3-1-5-14-9)13-8-10-4-2-6-15-10/h1,3,5,10H,2,4,6-8H2,(H2,12,13,16)/t10-/m0/s1.
What are the key properties of 1-(furan-2-ylmethyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea?
1-(furan-2-ylmethyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea has a molecular weight of 240.33 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea is sourced from PubChem (CID 972556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).