1-(3-methoxypropyl)-3-[(2-methylfuran-3-carbonyl)amino]thiourea

C11H17N3O3S — CID 2208065

IUPAC1-(3-methoxypropyl)-3-[(2-methylfuran-3-carbonyl)amino]thiourea
SMILESCOCCCNC(=S)NNC(=O)c1ccoc1C
InChIInChI=1S/C11H17N3O3S/c1-8-9(4-7-17-8)10(15)13-14-11(18)12-5-3-6-16-2/h4,7H,3,5-6H2,1-2H3,(H,13,15)(H2,12,14,18)
InChIKeyDWZLUJXYLKNGNK-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.73
Rot. Bonds5

About 1-(3-methoxypropyl)-3-[(2-methylfuran-3-carbonyl)amino]thiourea

1-(3-methoxypropyl)-3-[(2-methylfuran-3-carbonyl)amino]thiourea (PubChem CID 2208065) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-[(2-methylfuran-3-carbonyl)amino]thiourea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-[(2-methylfuran-3-carbonyl)amino]thiourea
PubChem CID2208065
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name1-(3-methoxypropyl)-3-[(2-methylfuran-3-carbonyl)amino]thiourea
SMILESCOCCCNC(=S)NNC(=O)c1ccoc1C
InChIInChI=1S/C11H17N3O3S/c1-8-9(4-7-17-8)10(15)13-14-11(18)12-5-3-6-16-2/h4,7H,3,5-6H2,1-2H3,(H,13,15)(H2,12,14,18)
InChIKeyDWZLUJXYLKNGNK-UHFFFAOYSA-N
XLogP0.73
TPSA75.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.73
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-[(2-methylfuran-3-carbonyl)amino]thiourea?
The IUPAC name of 1-(3-methoxypropyl)-3-[(2-methylfuran-3-carbonyl)amino]thiourea (CID 2208065) is 1-(3-methoxypropyl)-3-[(2-methylfuran-3-carbonyl)amino]thiourea.
What is the SMILES notation for 1-(3-methoxypropyl)-3-[(2-methylfuran-3-carbonyl)amino]thiourea?
The canonical SMILES for 1-(3-methoxypropyl)-3-[(2-methylfuran-3-carbonyl)amino]thiourea is COCCCNC(=S)NNC(=O)c1ccoc1C.
What is the InChIKey of 1-(3-methoxypropyl)-3-[(2-methylfuran-3-carbonyl)amino]thiourea?
The InChIKey is DWZLUJXYLKNGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-8-9(4-7-17-8)10(15)13-14-11(18)12-5-3-6-16-2/h4,7H,3,5-6H2,1-2H3,(H,13,15)(H2,12,14,18).
What are the key properties of 1-(3-methoxypropyl)-3-[(2-methylfuran-3-carbonyl)amino]thiourea?
1-(3-methoxypropyl)-3-[(2-methylfuran-3-carbonyl)amino]thiourea has a molecular weight of 271.34 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-[(2-methylfuran-3-carbonyl)amino]thiourea is sourced from PubChem (CID 2208065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).