1-(furan-2-carbonylamino)-3-(2-methoxyethyl)thiourea

C9H13N3O3S — CID 2208072

IUPAC1-(furan-2-carbonylamino)-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)NNC(=O)c1ccco1
InChIInChI=1S/C9H13N3O3S/c1-14-6-4-10-9(16)12-11-8(13)7-3-2-5-15-7/h2-3,5H,4,6H2,1H3,(H,11,13)(H2,10,12,16)
InChIKeyUJLOXWZXRWZWMS-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.03
Rot. Bonds4

About 1-(furan-2-carbonylamino)-3-(2-methoxyethyl)thiourea

1-(furan-2-carbonylamino)-3-(2-methoxyethyl)thiourea (PubChem CID 2208072) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 1-(furan-2-carbonylamino)-3-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1-(furan-2-carbonylamino)-3-(2-methoxyethyl)thiourea
PubChem CID2208072
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name1-(furan-2-carbonylamino)-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)NNC(=O)c1ccco1
InChIInChI=1S/C9H13N3O3S/c1-14-6-4-10-9(16)12-11-8(13)7-3-2-5-15-7/h2-3,5H,4,6H2,1H3,(H,11,13)(H2,10,12,16)
InChIKeyUJLOXWZXRWZWMS-UHFFFAOYSA-N
XLogP0.03
TPSA75.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.03
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

3-Amino-1-((furan-2-yl)methyl)thiourea
CID 722972
2-Furancarboxylic acid, hydrazide
CID 18731
2-((5-hex-1-yn-1-ylfuran-2-yl)carbonyl)-N-methylhydrazinecarbothioamide
CID 2823014
1-(Furan-2-ylmethyl)-3-(3-methylbutanoylamino)thiourea
CID 2027767
N-(2-furylmethyl)-2-(2-hydroxy-2-methylpropanoyl)hydrazinecarbothioamide
CID 2210524
N-morpholin-4-ylfuran-2-carboxamide
CID 2329857
2-(2-furoyl)-N-isobutylhydrazinecarbothioamide
CID 1767443
1-Butyl-3-[[2-furanyl(oxo)methyl]amino]thiourea
CID 4071290
2-(5-bromo-2-furoyl)-N-butylhydrazinecarbothioamide
CID 5108935
2-(2-furoyl)-N-(2-methyl-2-propen-1-yl)hydrazinecarbothioamide
CID 2247488
2-Furancarboxylic acid, 2-(((phenylmethyl)amino)thioxomethyl)hydrazide
CID 865908
N-[N'-(Furan-2-carbonyl)-hydrazinocarbothioyl]-3-(4-methoxy-phenyl)-acrylamide
CID 1933094

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonylamino)-3-(2-methoxyethyl)thiourea?
The IUPAC name of 1-(furan-2-carbonylamino)-3-(2-methoxyethyl)thiourea (CID 2208072) is 1-(furan-2-carbonylamino)-3-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1-(furan-2-carbonylamino)-3-(2-methoxyethyl)thiourea?
The canonical SMILES for 1-(furan-2-carbonylamino)-3-(2-methoxyethyl)thiourea is COCCNC(=S)NNC(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-carbonylamino)-3-(2-methoxyethyl)thiourea?
The InChIKey is UJLOXWZXRWZWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-14-6-4-10-9(16)12-11-8(13)7-3-2-5-15-7/h2-3,5H,4,6H2,1H3,(H,11,13)(H2,10,12,16).
What are the key properties of 1-(furan-2-carbonylamino)-3-(2-methoxyethyl)thiourea?
1-(furan-2-carbonylamino)-3-(2-methoxyethyl)thiourea has a molecular weight of 243.29 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonylamino)-3-(2-methoxyethyl)thiourea is sourced from PubChem (CID 2208072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).