1-(furan-2-carbonylamino)-3-(2-methylprop-2-enyl)thiourea

C10H13N3O2S — CID 2247488

IUPAC1-(furan-2-carbonylamino)-3-(2-methylprop-2-enyl)thiourea
SMILESC=C(C)CNC(=S)NNC(=O)c1ccco1
InChIInChI=1S/C10H13N3O2S/c1-7(2)6-11-10(16)13-12-9(14)8-4-3-5-15-8/h3-5H,1,6H2,2H3,(H,12,14)(H2,11,13,16)
InChIKeyISGOUWYDTHPYEI-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.96
Rot. Bonds3

About 1-(furan-2-carbonylamino)-3-(2-methylprop-2-enyl)thiourea

1-(furan-2-carbonylamino)-3-(2-methylprop-2-enyl)thiourea (PubChem CID 2247488) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-(furan-2-carbonylamino)-3-(2-methylprop-2-enyl)thiourea.

Molecular Properties

Compound Name1-(furan-2-carbonylamino)-3-(2-methylprop-2-enyl)thiourea
PubChem CID2247488
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name1-(furan-2-carbonylamino)-3-(2-methylprop-2-enyl)thiourea
SMILESC=C(C)CNC(=S)NNC(=O)c1ccco1
InChIInChI=1S/C10H13N3O2S/c1-7(2)6-11-10(16)13-12-9(14)8-4-3-5-15-8/h3-5H,1,6H2,2H3,(H,12,14)(H2,11,13,16)
InChIKeyISGOUWYDTHPYEI-UHFFFAOYSA-N
XLogP0.96
TPSA66.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-((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
N-{[(2-furylcarbonylamino)amino]thioxomethyl}benzamide
CID 2729195
1-Benzyl-3-[(5-bromofuran-2-carbonyl)amino]thiourea
CID 999669
2-(2-furoyl)-N-isobutylhydrazinecarbothioamide
CID 1767443
2-(2-furoyl)-N-(2-methoxyethyl)hydrazinecarbothioamide
CID 2208072
1-Butyl-3-[[2-furanyl(oxo)methyl]amino]thiourea
CID 4071290
2-(5-bromo-2-furoyl)-N-butylhydrazinecarbothioamide
CID 5108935
N-[[(4-methylbenzoyl)amino]carbamothioyl]furan-2-carboxamide
CID 3132648

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonylamino)-3-(2-methylprop-2-enyl)thiourea?
The IUPAC name of 1-(furan-2-carbonylamino)-3-(2-methylprop-2-enyl)thiourea (CID 2247488) is 1-(furan-2-carbonylamino)-3-(2-methylprop-2-enyl)thiourea.
What is the SMILES notation for 1-(furan-2-carbonylamino)-3-(2-methylprop-2-enyl)thiourea?
The canonical SMILES for 1-(furan-2-carbonylamino)-3-(2-methylprop-2-enyl)thiourea is C=C(C)CNC(=S)NNC(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-carbonylamino)-3-(2-methylprop-2-enyl)thiourea?
The InChIKey is ISGOUWYDTHPYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-7(2)6-11-10(16)13-12-9(14)8-4-3-5-15-8/h3-5H,1,6H2,2H3,(H,12,14)(H2,11,13,16).
What are the key properties of 1-(furan-2-carbonylamino)-3-(2-methylprop-2-enyl)thiourea?
1-(furan-2-carbonylamino)-3-(2-methylprop-2-enyl)thiourea has a molecular weight of 239.30 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonylamino)-3-(2-methylprop-2-enyl)thiourea is sourced from PubChem (CID 2247488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).