1-cyclopentyl-3-(furan-2-ylmethylcarbamothioylamino)thiourea

C12H18N4OS2 — CID 8789325

IUPAC1-cyclopentyl-3-(furan-2-ylmethylcarbamothioylamino)thiourea
SMILESS=C(NCc1ccco1)NNC(=S)NC1CCCC1
InChIInChI=1S/C12H18N4OS2/c18-11(13-8-10-6-3-7-17-10)15-16-12(19)14-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H2,13,15,18)(H2,14,16,19)
InChIKeyYBMUGOWIIWSMPJ-UHFFFAOYSA-N
MW298.44 g/mol
LogP1.57
Rot. Bonds3

About 1-cyclopentyl-3-(furan-2-ylmethylcarbamothioylamino)thiourea

1-cyclopentyl-3-(furan-2-ylmethylcarbamothioylamino)thiourea (PubChem CID 8789325) has the molecular formula C12H18N4OS2 and a molecular weight of 298.44 g/mol. Its IUPAC name is 1-cyclopentyl-3-(furan-2-ylmethylcarbamothioylamino)thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-(furan-2-ylmethylcarbamothioylamino)thiourea
PubChem CID8789325
Molecular FormulaC12H18N4OS2
Molecular Weight298.44 g/mol
Exact Mass298.09
IUPAC Name1-cyclopentyl-3-(furan-2-ylmethylcarbamothioylamino)thiourea
SMILESS=C(NCc1ccco1)NNC(=S)NC1CCCC1
InChIInChI=1S/C12H18N4OS2/c18-11(13-8-10-6-3-7-17-10)15-16-12(19)14-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H2,13,15,18)(H2,14,16,19)
InChIKeyYBMUGOWIIWSMPJ-UHFFFAOYSA-N
XLogP1.57
TPSA61.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.44
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(furan-2-ylmethyl)thiourea
CID 43075806
1-cyclopentyl-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
CID 110991138
2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide
CID 47013398
N-cyclohexyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108958927
N-(furan-2-ylmethylcarbamothioyl)cyclopropanecarboxamide
CID 1243044
N-cyclopentyl-2-(furan-2-ylmethylamino)acetamide
CID 28586516
1-(furan-2-ylmethyl)-3-[(1R,5R)-9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-yl]thiourea
CID 1461193
1-(furan-2-ylmethyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 972556
N-cyclopentyl-2-(furan-2-yl)acetamide
CID 110690587
2-(cyclohexylamino)-N-(furan-2-ylmethyl)acetamide
CID 54816411
1-(furan-2-ylmethyl)-3-[(2-phenoxyacetyl)amino]thiourea
CID 4028444
5-N-cyclopentyl-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109102679

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(furan-2-ylmethylcarbamothioylamino)thiourea?
The IUPAC name of 1-cyclopentyl-3-(furan-2-ylmethylcarbamothioylamino)thiourea (CID 8789325) is 1-cyclopentyl-3-(furan-2-ylmethylcarbamothioylamino)thiourea.
What is the SMILES notation for 1-cyclopentyl-3-(furan-2-ylmethylcarbamothioylamino)thiourea?
The canonical SMILES for 1-cyclopentyl-3-(furan-2-ylmethylcarbamothioylamino)thiourea is S=C(NCc1ccco1)NNC(=S)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(furan-2-ylmethylcarbamothioylamino)thiourea?
The InChIKey is YBMUGOWIIWSMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS2/c18-11(13-8-10-6-3-7-17-10)15-16-12(19)14-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H2,13,15,18)(H2,14,16,19).
What are the key properties of 1-cyclopentyl-3-(furan-2-ylmethylcarbamothioylamino)thiourea?
1-cyclopentyl-3-(furan-2-ylmethylcarbamothioylamino)thiourea has a molecular weight of 298.44 g/mol, XLogP of 1.57, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(furan-2-ylmethylcarbamothioylamino)thiourea is sourced from PubChem (CID 8789325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).