1-[1-(furan-2-yl)ethenylamino]-3-(2-methoxyethyl)thiourea

C10H15N3O2S — CID 2342479

IUPAC1-[1-(furan-2-yl)ethenylamino]-3-(2-methoxyethyl)thiourea
SMILESC=C(NNC(=S)NCCOC)c1ccco1
InChIInChI=1S/C10H15N3O2S/c1-8(9-4-3-6-15-9)12-13-10(16)11-5-7-14-2/h3-4,6,12H,1,5,7H2,2H3,(H2,11,13,16)
InChIKeyJKBRKAZTTPYDMO-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.87
Rot. Bonds6

About 1-[1-(furan-2-yl)ethenylamino]-3-(2-methoxyethyl)thiourea

1-[1-(furan-2-yl)ethenylamino]-3-(2-methoxyethyl)thiourea (PubChem CID 2342479) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)ethenylamino]-3-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1-[1-(furan-2-yl)ethenylamino]-3-(2-methoxyethyl)thiourea
PubChem CID2342479
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name1-[1-(furan-2-yl)ethenylamino]-3-(2-methoxyethyl)thiourea
SMILESC=C(NNC(=S)NCCOC)c1ccco1
InChIInChI=1S/C10H15N3O2S/c1-8(9-4-3-6-15-9)12-13-10(16)11-5-7-14-2/h3-4,6,12H,1,5,7H2,2H3,(H2,11,13,16)
InChIKeyJKBRKAZTTPYDMO-UHFFFAOYSA-N
XLogP0.87
TPSA58.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-fluorophenyl)ethenylamino]-3-(2-methoxyethyl)thiourea
CID 2489635
N-[2,5-dimethoxy-4-(2-methoxyethylcarbamothioylamino)phenyl]furan-2-carboxamide
CID 3169047
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 113218177
1-(2-methoxyethyl)-3-[(4-methoxyphenyl)methylcarbamothioylamino]thiourea
CID 8654299
N-(4-methoxybutyl)furan-2-carboxamide
CID 60769533
N-[2-[2-[[(2S)-1-methoxypropan-2-yl]carbamothioyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 9478105
1-(2-methoxyethyl)-3-(2-methylphenyl)thiourea
CID 2253001
1-(2,6-dichlorophenyl)-3-(2-methoxyethyl)thiourea
CID 8657463
N-(dodecylcarbamothioyl)furan-2-carboxamide
CID 10958704
1-(2-methoxyethyl)-3-(4-prop-2-enoxyphenyl)thiourea
CID 100584082
N-(prop-2-enylcarbamothioyl)furan-2-carboxamide
CID 2294785
N-[2-(furan-2-ylmethoxy)ethyl]-2-methoxyethanamine
CID 62565000

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)ethenylamino]-3-(2-methoxyethyl)thiourea?
The IUPAC name of 1-[1-(furan-2-yl)ethenylamino]-3-(2-methoxyethyl)thiourea (CID 2342479) is 1-[1-(furan-2-yl)ethenylamino]-3-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1-[1-(furan-2-yl)ethenylamino]-3-(2-methoxyethyl)thiourea?
The canonical SMILES for 1-[1-(furan-2-yl)ethenylamino]-3-(2-methoxyethyl)thiourea is C=C(NNC(=S)NCCOC)c1ccco1.
What is the InChIKey of 1-[1-(furan-2-yl)ethenylamino]-3-(2-methoxyethyl)thiourea?
The InChIKey is JKBRKAZTTPYDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-8(9-4-3-6-15-9)12-13-10(16)11-5-7-14-2/h3-4,6,12H,1,5,7H2,2H3,(H2,11,13,16).
What are the key properties of 1-[1-(furan-2-yl)ethenylamino]-3-(2-methoxyethyl)thiourea?
1-[1-(furan-2-yl)ethenylamino]-3-(2-methoxyethyl)thiourea has a molecular weight of 241.32 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)ethenylamino]-3-(2-methoxyethyl)thiourea is sourced from PubChem (CID 2342479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).