1-(3-fluorophenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea

C19H22FN3OS — CID 133231017

IUPAC1-(3-fluorophenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea
SMILESCC(NC(=S)Nc1cccc(F)c1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H22FN3OS/c1-14(21-19(25)22-17-4-2-3-16(20)13-17)15-5-7-18(8-6-15)23-9-11-24-12-10-23/h2-8,13-14H,9-12H2,1H3,(H2,21,22,25)
InChIKeyRLOXHTGKHPLOOQ-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.71
Rot. Bonds4

About 1-(3-fluorophenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea

1-(3-fluorophenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea (PubChem CID 133231017) has the molecular formula C19H22FN3OS and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea
PubChem CID133231017
Molecular FormulaC19H22FN3OS
Molecular Weight359.47 g/mol
Exact Mass359.15
IUPAC Name1-(3-fluorophenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea
SMILESCC(NC(=S)Nc1cccc(F)c1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H22FN3OS/c1-14(21-19(25)22-17-4-2-3-16(20)13-17)15-5-7-18(8-6-15)23-9-11-24-12-10-23/h2-8,13-14H,9-12H2,1H3,(H2,21,22,25)
InChIKeyRLOXHTGKHPLOOQ-UHFFFAOYSA-N
XLogP3.71
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-morpholin-4-ylphenyl)ethyl]-3-(3-propan-2-yloxyphenyl)thiourea
CID 133231041
1-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-3-(3-prop-2-enoxyphenyl)thiourea
CID 100764293
1-[3-(4-tert-butylbenzoyl)phenyl]-3-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]thiourea
CID 100764227
1-(3-chlorophenyl)-3-[(1R)-1-(4-pyrrolidin-1-ylphenyl)ethyl]thiourea
CID 100725093
1-(4-methoxyphenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea
CID 48628219
1-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea
CID 100715096
1-phenyl-3-[1-(4-pyrrolidin-1-ylphenyl)ethyl]thiourea
CID 133216188
1-(3,4-difluorophenyl)-3-[(1R)-1-(4-pyrrolidin-1-ylphenyl)ethyl]thiourea
CID 100725680
1-(3,4-difluorophenyl)-3-[1-(4-piperidin-1-ylphenyl)ethyl]thiourea
CID 133154990
1-(3-propan-2-yloxyphenyl)-3-[(1R)-1-(4-pyrrolidin-1-ylphenyl)ethyl]thiourea
CID 100726002
1-(3-bromophenyl)-3-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]thiourea
CID 100712231
1-(3-acetylphenyl)-3-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]urea
CID 52509642

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea?
The IUPAC name of 1-(3-fluorophenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea (CID 133231017) is 1-(3-fluorophenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea is CC(NC(=S)Nc1cccc(F)c1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea?
The InChIKey is RLOXHTGKHPLOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3OS/c1-14(21-19(25)22-17-4-2-3-16(20)13-17)15-5-7-18(8-6-15)23-9-11-24-12-10-23/h2-8,13-14H,9-12H2,1H3,(H2,21,22,25).
What are the key properties of 1-(3-fluorophenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea?
1-(3-fluorophenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea has a molecular weight of 359.47 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea is sourced from PubChem (CID 133231017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).