1-(3-chloro-4-fluorophenyl)-3-[2-(furan-2-yl)-2-morpholin-4-ylethyl]thiourea

C17H19ClFN3O2S — CID 21008738

IUPAC1-(3-chloro-4-fluorophenyl)-3-[2-(furan-2-yl)-2-morpholin-4-ylethyl]thiourea
SMILESFc1ccc(NC(=S)NCC(c2ccco2)N2CCOCC2)cc1Cl
InChIInChI=1S/C17H19ClFN3O2S/c18-13-10-12(3-4-14(13)19)21-17(25)20-11-15(16-2-1-7-24-16)22-5-8-23-9-6-22/h1-4,7,10,15H,5-6,8-9,11H2,(H2,20,21,25)
InChIKeyZIKPWDQVEAXCGF-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.43
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-3-[2-(furan-2-yl)-2-morpholin-4-ylethyl]thiourea

1-(3-chloro-4-fluorophenyl)-3-[2-(furan-2-yl)-2-morpholin-4-ylethyl]thiourea (PubChem CID 21008738) has the molecular formula C17H19ClFN3O2S and a molecular weight of 383.88 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-[2-(furan-2-yl)-2-morpholin-4-ylethyl]thiourea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-[2-(furan-2-yl)-2-morpholin-4-ylethyl]thiourea
PubChem CID21008738
Molecular FormulaC17H19ClFN3O2S
Molecular Weight383.88 g/mol
Exact Mass383.09
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-[2-(furan-2-yl)-2-morpholin-4-ylethyl]thiourea
SMILESFc1ccc(NC(=S)NCC(c2ccco2)N2CCOCC2)cc1Cl
InChIInChI=1S/C17H19ClFN3O2S/c18-13-10-12(3-4-14(13)19)21-17(25)20-11-15(16-2-1-7-24-16)22-5-8-23-9-6-22/h1-4,7,10,15H,5-6,8-9,11H2,(H2,20,21,25)
InChIKeyZIKPWDQVEAXCGF-UHFFFAOYSA-N
XLogP3.43
TPSA49.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]thiourea
CID 8788006
1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]thiourea
CID 8675829
N'-(3-chloro-4-fluorophenyl)-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]oxamide
CID 42545871
1-(3-chloro-4-fluorophenyl)-3-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]thiourea
CID 21008716
1-(3-bromophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]thiourea
CID 9235877
1-(3,5-dimethylphenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]thiourea
CID 8683309
1-(4-chlorophenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiourea
CID 8788342
1-(3-chloro-4-methylphenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiourea
CID 8788390
1-[(3-chloro-4-fluorophenyl)methyl]-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine;hydroiodide
CID 111009092
3-chloro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 16809743
4-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 110302200
3-(4-chlorophenyl)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 110302218

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[2-(furan-2-yl)-2-morpholin-4-ylethyl]thiourea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[2-(furan-2-yl)-2-morpholin-4-ylethyl]thiourea (CID 21008738) is 1-(3-chloro-4-fluorophenyl)-3-[2-(furan-2-yl)-2-morpholin-4-ylethyl]thiourea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-[2-(furan-2-yl)-2-morpholin-4-ylethyl]thiourea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-[2-(furan-2-yl)-2-morpholin-4-ylethyl]thiourea is Fc1ccc(NC(=S)NCC(c2ccco2)N2CCOCC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-[2-(furan-2-yl)-2-morpholin-4-ylethyl]thiourea?
The InChIKey is ZIKPWDQVEAXCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN3O2S/c18-13-10-12(3-4-14(13)19)21-17(25)20-11-15(16-2-1-7-24-16)22-5-8-23-9-6-22/h1-4,7,10,15H,5-6,8-9,11H2,(H2,20,21,25).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-[2-(furan-2-yl)-2-morpholin-4-ylethyl]thiourea?
1-(3-chloro-4-fluorophenyl)-3-[2-(furan-2-yl)-2-morpholin-4-ylethyl]thiourea has a molecular weight of 383.88 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-[2-(furan-2-yl)-2-morpholin-4-ylethyl]thiourea is sourced from PubChem (CID 21008738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).