1-(3,5-difluorophenyl)-3-morpholin-4-ylthiourea

C11H13F2N3OS — CID 2991484

IUPAC1-(3,5-difluorophenyl)-3-morpholin-4-ylthiourea
SMILESFc1cc(F)cc(NC(=S)NN2CCOCC2)c1
InChIInChI=1S/C11H13F2N3OS/c12-8-5-9(13)7-10(6-8)14-11(18)15-16-1-3-17-4-2-16/h5-7H,1-4H2,(H2,14,15,18)
InChIKeyQDHQJDCEJQYAAW-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.50
Rot. Bonds2

About 1-(3,5-difluorophenyl)-3-morpholin-4-ylthiourea

1-(3,5-difluorophenyl)-3-morpholin-4-ylthiourea (PubChem CID 2991484) has the molecular formula C11H13F2N3OS and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-morpholin-4-ylthiourea.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-morpholin-4-ylthiourea
PubChem CID2991484
Molecular FormulaC11H13F2N3OS
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name1-(3,5-difluorophenyl)-3-morpholin-4-ylthiourea
SMILESFc1cc(F)cc(NC(=S)NN2CCOCC2)c1
InChIInChI=1S/C11H13F2N3OS/c12-8-5-9(13)7-10(6-8)14-11(18)15-16-1-3-17-4-2-16/h5-7H,1-4H2,(H2,14,15,18)
InChIKeyQDHQJDCEJQYAAW-UHFFFAOYSA-N
XLogP1.50
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-phenylmorpholine-4-carbothioamide
CID 668271
1-(2-methoxyethyl)-3-(N-phenylanilino)thiourea
CID 2388700
N-(2-fluorophenyl)-2,6-dimethylmorpholine-4-carbothioamide
CID 2930103
N-(2,4-difluorophenyl)morpholine-4-carbothioamide
CID 4604894
1-(3-Chloro-4-fluorophenyl)-3-morpholin-4-ylthiourea
CID 840875
1-(4-Chlorophenyl)-3-morpholinothiourea
CID 4179018
N-(2-fluorophenyl)morpholine-4-carbothioamide
CID 709147
1-(4-Fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 760234
N-(2,4-difluorophenyl)-N'-(3-methoxypropyl)-1,2-hydrazinedicarbothioamide
CID 2208336
1-(3-Fluorophenyl)-3-[3-(morpholin-4-yl)propyl]thiourea
CID 2244109
1-(4-Anilinophenyl)-3-morpholin-4-ylthiourea
CID 942782
1-(2-Morpholin-4-ylethyl)-3-(2,3,4-trifluorophenyl)thiourea
CID 2387848

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-morpholin-4-ylthiourea?
The IUPAC name of 1-(3,5-difluorophenyl)-3-morpholin-4-ylthiourea (CID 2991484) is 1-(3,5-difluorophenyl)-3-morpholin-4-ylthiourea.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-morpholin-4-ylthiourea?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-morpholin-4-ylthiourea is Fc1cc(F)cc(NC(=S)NN2CCOCC2)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-morpholin-4-ylthiourea?
The InChIKey is QDHQJDCEJQYAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3OS/c12-8-5-9(13)7-10(6-8)14-11(18)15-16-1-3-17-4-2-16/h5-7H,1-4H2,(H2,14,15,18).
What are the key properties of 1-(3,5-difluorophenyl)-3-morpholin-4-ylthiourea?
1-(3,5-difluorophenyl)-3-morpholin-4-ylthiourea has a molecular weight of 273.31 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-morpholin-4-ylthiourea is sourced from PubChem (CID 2991484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).