1-(furan-2-ylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]thiourea

C12H18N2O3S — CID 171675218

IUPAC1-(furan-2-ylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]thiourea
SMILESOC1(CNC(=S)NCc2ccco2)CCOCC1
InChIInChI=1S/C12H18N2O3S/c15-12(3-6-16-7-4-12)9-14-11(18)13-8-10-2-1-5-17-10/h1-2,5,15H,3-4,6-9H2,(H2,13,14,18)
InChIKeyGEEARCKPTOVPFZ-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.79
Rot. Bonds4

About 1-(furan-2-ylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]thiourea

1-(furan-2-ylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]thiourea (PubChem CID 171675218) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]thiourea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]thiourea
PubChem CID171675218
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name1-(furan-2-ylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]thiourea
SMILESOC1(CNC(=S)NCc2ccco2)CCOCC1
InChIInChI=1S/C12H18N2O3S/c15-12(3-6-16-7-4-12)9-14-11(18)13-8-10-2-1-5-17-10/h1-2,5,15H,3-4,6-9H2,(H2,13,14,18)
InChIKeyGEEARCKPTOVPFZ-UHFFFAOYSA-N
XLogP0.79
TPSA66.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-N'-[(4-hydroxyoxan-4-yl)methyl]oxamide
CID 90534194
1-(furan-2-ylmethyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 972556
1-(furan-2-ylmethyl)-3-undecylthiourea
CID 19651324
1-dodecyl-3-(furan-2-ylmethyl)thiourea
CID 19651410
1-(furan-2-ylmethyl)-2-methyl-3-[(4-methylsulfonyloxan-4-yl)methyl]guanidine
CID 111444517
1-(furan-2-ylmethyl)-3-(2,4,6-trimethylphenyl)thiourea;thiourea
CID 163670813
N-(furan-2-ylmethylcarbamothioyl)cyclopropanecarboxamide
CID 1243044
1-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-(furan-2-ylmethyl)-2-methylguanidine
CID 111544379
amino N-(furan-2-ylmethyl)carbamodithioate
CID 4258189
1-(3-cyanophenyl)-3-(furan-2-ylmethyl)thiourea
CID 8614906
1-cyclopentyl-3-(furan-2-ylmethylcarbamothioylamino)thiourea
CID 8789325
1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 8618969

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]thiourea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]thiourea (CID 171675218) is 1-(furan-2-ylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]thiourea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]thiourea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]thiourea is OC1(CNC(=S)NCc2ccco2)CCOCC1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]thiourea?
The InChIKey is GEEARCKPTOVPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c15-12(3-6-16-7-4-12)9-14-11(18)13-8-10-2-1-5-17-10/h1-2,5,15H,3-4,6-9H2,(H2,13,14,18).
What are the key properties of 1-(furan-2-ylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]thiourea?
1-(furan-2-ylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]thiourea has a molecular weight of 270.35 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[(4-hydroxyoxan-4-yl)methyl]thiourea is sourced from PubChem (CID 171675218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).