1-(furan-2-ylmethyl)-3-[4-(morpholine-4-carbonyl)phenyl]thiourea

C17H19N3O3S — CID 970217

IUPAC1-(furan-2-ylmethyl)-3-[4-(morpholine-4-carbonyl)phenyl]thiourea
SMILESO=C(c1ccc(NC(=S)NCc2ccco2)cc1)N1CCOCC1
InChIInChI=1S/C17H19N3O3S/c21-16(20-7-10-22-11-8-20)13-3-5-14(6-4-13)19-17(24)18-12-15-2-1-9-23-15/h1-6,9H,7-8,10-12H2,(H2,18,19,24)
InChIKeyRLHCLQMZCBBOKC-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.24
Rot. Bonds4

About 1-(furan-2-ylmethyl)-3-[4-(morpholine-4-carbonyl)phenyl]thiourea

1-(furan-2-ylmethyl)-3-[4-(morpholine-4-carbonyl)phenyl]thiourea (PubChem CID 970217) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[4-(morpholine-4-carbonyl)phenyl]thiourea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[4-(morpholine-4-carbonyl)phenyl]thiourea
PubChem CID970217
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name1-(furan-2-ylmethyl)-3-[4-(morpholine-4-carbonyl)phenyl]thiourea
SMILESO=C(c1ccc(NC(=S)NCc2ccco2)cc1)N1CCOCC1
InChIInChI=1S/C17H19N3O3S/c21-16(20-7-10-22-11-8-20)13-3-5-14(6-4-13)19-17(24)18-12-15-2-1-9-23-15/h1-6,9H,7-8,10-12H2,(H2,18,19,24)
InChIKeyRLHCLQMZCBBOKC-UHFFFAOYSA-N
XLogP2.24
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[4-(morpholine-4-carbonyl)phenyl]thiourea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[4-(morpholine-4-carbonyl)phenyl]thiourea (CID 970217) is 1-(furan-2-ylmethyl)-3-[4-(morpholine-4-carbonyl)phenyl]thiourea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[4-(morpholine-4-carbonyl)phenyl]thiourea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[4-(morpholine-4-carbonyl)phenyl]thiourea is O=C(c1ccc(NC(=S)NCc2ccco2)cc1)N1CCOCC1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[4-(morpholine-4-carbonyl)phenyl]thiourea?
The InChIKey is RLHCLQMZCBBOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-16(20-7-10-22-11-8-20)13-3-5-14(6-4-13)19-17(24)18-12-15-2-1-9-23-15/h1-6,9H,7-8,10-12H2,(H2,18,19,24).
What are the key properties of 1-(furan-2-ylmethyl)-3-[4-(morpholine-4-carbonyl)phenyl]thiourea?
1-(furan-2-ylmethyl)-3-[4-(morpholine-4-carbonyl)phenyl]thiourea has a molecular weight of 345.42 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[4-(morpholine-4-carbonyl)phenyl]thiourea is sourced from PubChem (CID 970217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).