1-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethyl)thiourea

C14H20N2OS — CID 2210389

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethyl)thiourea
SMILESS=C(NCCC1=CCCCC1)NCc1ccco1
InChIInChI=1S/C14H20N2OS/c18-14(16-11-13-7-4-10-17-13)15-9-8-12-5-2-1-3-6-12/h4-5,7,10H,1-3,6,8-9,11H2,(H2,15,16,18)
InChIKeyQBVPEOBEHLTIMC-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.13
Rot. Bonds5

About 1-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethyl)thiourea

1-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethyl)thiourea (PubChem CID 2210389) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethyl)thiourea
PubChem CID2210389
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethyl)thiourea
SMILESS=C(NCCC1=CCCCC1)NCc1ccco1
InChIInChI=1S/C14H20N2OS/c18-14(16-11-13-7-4-10-17-13)15-9-8-12-5-2-1-3-6-12/h4-5,7,10H,1-3,6,8-9,11H2,(H2,15,16,18)
InChIKeyQBVPEOBEHLTIMC-UHFFFAOYSA-N
XLogP3.13
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 17206949
N-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethylamino)propanamide
CID 109014635
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146360
N-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109251021
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 119073948
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109082049
1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 8618969
1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(cyclohexen-1-yl)ethyl]thiourea
CID 5159776
N-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109299470
N-[2-(cyclohexen-1-yl)ethyl]-N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 90605218
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]furan-2-carboxamide
CID 110865984
N-[2-(cyclohexen-1-yl)ethyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109275380

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethyl)thiourea?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethyl)thiourea (CID 2210389) is 1-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethyl)thiourea.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethyl)thiourea?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethyl)thiourea is S=C(NCCC1=CCCCC1)NCc1ccco1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethyl)thiourea?
The InChIKey is QBVPEOBEHLTIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c18-14(16-11-13-7-4-10-17-13)15-9-8-12-5-2-1-3-6-12/h4-5,7,10H,1-3,6,8-9,11H2,(H2,15,16,18).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethyl)thiourea?
1-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethyl)thiourea has a molecular weight of 264.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethyl)thiourea is sourced from PubChem (CID 2210389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).