1-(furan-2-ylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea

C13H19N3O2S — CID 2211945

IUPAC1-(furan-2-ylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
SMILESO=C1CCCN1CCCNC(=S)NCc1ccco1
InChIInChI=1S/C13H19N3O2S/c17-12-5-1-7-16(12)8-3-6-14-13(19)15-10-11-4-2-9-18-11/h2,4,9H,1,3,5-8,10H2,(H2,14,15,19)
InChIKeyJBZFQMOSUQHCKM-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.26
Rot. Bonds6

About 1-(furan-2-ylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea

1-(furan-2-ylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea (PubChem CID 2211945) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
PubChem CID2211945
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name1-(furan-2-ylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
SMILESO=C1CCCN1CCCNC(=S)NCc1ccco1
InChIInChI=1S/C13H19N3O2S/c17-12-5-1-7-16(12)8-3-6-14-13(19)15-10-11-4-2-9-18-11/h2,4,9H,1,3,5-8,10H2,(H2,14,15,19)
InChIKeyJBZFQMOSUQHCKM-UHFFFAOYSA-N
XLogP1.26
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-cyano-3-(furan-2-ylmethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
CID 108815444
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide
CID 108863256
1-[(3,4-dichlorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
CID 74227780
1-(furan-2-ylmethyl)-3-[3-(5-methylpyrazol-1-yl)propyl]thiourea
CID 4768423
1-(2,6-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
CID 2373826
1-butyl-3-[2-(furan-2-yl)ethyl]-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 111146829
1-(2,6-diethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
CID 4998012
1-[2-(furan-2-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111146583
1-butyl-3-[2-(furan-2-yl)ethyl]-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111146828
1-(furan-2-ylmethyl)-3-undecylthiourea
CID 19651324
1-dodecyl-3-(furan-2-ylmethyl)thiourea
CID 19651410
N-(furan-2-ylmethyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110408771

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea (CID 2211945) is 1-(furan-2-ylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea is O=C1CCCN1CCCNC(=S)NCc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea?
The InChIKey is JBZFQMOSUQHCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c17-12-5-1-7-16(12)8-3-6-14-13(19)15-10-11-4-2-9-18-11/h2,4,9H,1,3,5-8,10H2,(H2,14,15,19).
What are the key properties of 1-(furan-2-ylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea?
1-(furan-2-ylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea has a molecular weight of 281.38 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea is sourced from PubChem (CID 2211945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).