1-(3-fluoro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)thiourea

C14H20FN3OS — CID 719206

IUPAC1-(3-fluoro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)thiourea
SMILESCc1ccc(NC(=S)NCCN2CCOCC2)cc1F
InChIInChI=1S/C14H20FN3OS/c1-11-2-3-12(10-13(11)15)17-14(20)16-4-5-18-6-8-19-9-7-18/h2-3,10H,4-9H2,1H3,(H2,16,17,20)
InChIKeyRWDRCBBXJVCNNW-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.75
Rot. Bonds4

About 1-(3-fluoro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)thiourea

1-(3-fluoro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)thiourea (PubChem CID 719206) has the molecular formula C14H20FN3OS and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)thiourea
PubChem CID719206
Molecular FormulaC14H20FN3OS
Molecular Weight297.40 g/mol
Exact Mass297.13
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)thiourea
SMILESCc1ccc(NC(=S)NCCN2CCOCC2)cc1F
InChIInChI=1S/C14H20FN3OS/c1-11-2-3-12(10-13(11)15)17-14(20)16-4-5-18-6-8-19-9-7-18/h2-3,10H,4-9H2,1H3,(H2,16,17,20)
InChIKeyRWDRCBBXJVCNNW-UHFFFAOYSA-N
XLogP1.75
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-fluoro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)thiourea?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)thiourea (CID 719206) is 1-(3-fluoro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)thiourea.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)thiourea?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)thiourea is Cc1ccc(NC(=S)NCCN2CCOCC2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)thiourea?
The InChIKey is RWDRCBBXJVCNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3OS/c1-11-2-3-12(10-13(11)15)17-14(20)16-4-5-18-6-8-19-9-7-18/h2-3,10H,4-9H2,1H3,(H2,16,17,20).
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)thiourea?
1-(3-fluoro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)thiourea has a molecular weight of 297.40 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)thiourea is sourced from PubChem (CID 719206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).