1-(2,4-difluorophenyl)-3-morpholin-4-ylthiourea

C11H13F2N3OS — CID 970928

IUPAC1-(2,4-difluorophenyl)-3-morpholin-4-ylthiourea
SMILESFc1ccc(NC(=S)NN2CCOCC2)c(F)c1
InChIInChI=1S/C11H13F2N3OS/c12-8-1-2-10(9(13)7-8)14-11(18)15-16-3-5-17-6-4-16/h1-2,7H,3-6H2,(H2,14,15,18)
InChIKeyGUKHNRWSNDYYHO-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.50
Rot. Bonds2

About 1-(2,4-difluorophenyl)-3-morpholin-4-ylthiourea

1-(2,4-difluorophenyl)-3-morpholin-4-ylthiourea (PubChem CID 970928) has the molecular formula C11H13F2N3OS and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-morpholin-4-ylthiourea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-morpholin-4-ylthiourea
PubChem CID970928
Molecular FormulaC11H13F2N3OS
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name1-(2,4-difluorophenyl)-3-morpholin-4-ylthiourea
SMILESFc1ccc(NC(=S)NN2CCOCC2)c(F)c1
InChIInChI=1S/C11H13F2N3OS/c12-8-1-2-10(9(13)7-8)14-11(18)15-16-3-5-17-6-4-16/h1-2,7H,3-6H2,(H2,14,15,18)
InChIKeyGUKHNRWSNDYYHO-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'-(2-(Morpholin-4-yl)ethyl)-N-phenylcarbamimidothioic acid
CID 722642
N1-[4-(2,6-dimethylmorpholino)phenyl]-2-(2-cyanoethyl)hydrazine-1-carbothioamide
CID 2824632
N-phenylmorpholine-4-carbothioamide
CID 668271
2-(4-morpholinylacetyl)-N-phenylhydrazinecarbothioamide
CID 954334
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
N,N-dimethyl-N'-(4-morpholinophenyl)thiourea
CID 2731347
1-(4-Fluorophenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 760234

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-morpholin-4-ylthiourea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-morpholin-4-ylthiourea (CID 970928) is 1-(2,4-difluorophenyl)-3-morpholin-4-ylthiourea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-morpholin-4-ylthiourea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-morpholin-4-ylthiourea is Fc1ccc(NC(=S)NN2CCOCC2)c(F)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-morpholin-4-ylthiourea?
The InChIKey is GUKHNRWSNDYYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3OS/c12-8-1-2-10(9(13)7-8)14-11(18)15-16-3-5-17-6-4-16/h1-2,7H,3-6H2,(H2,14,15,18).
What are the key properties of 1-(2,4-difluorophenyl)-3-morpholin-4-ylthiourea?
1-(2,4-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-(2,4-difluorophenyl)-3-morpholin-4-ylthiourea is sourced from PubChem (CID 970928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).