1-(4-acetylphenyl)-3-morpholin-4-ylthiourea

C13H17N3O2S — CID 17282119

IUPAC1-(4-acetylphenyl)-3-morpholin-4-ylthiourea
SMILESCC(=O)c1ccc(NC(=S)NN2CCOCC2)cc1
InChIInChI=1S/C13H17N3O2S/c1-10(17)11-2-4-12(5-3-11)14-13(19)15-16-6-8-18-9-7-16/h2-5H,6-9H2,1H3,(H2,14,15,19)
InChIKeyPNAVMSWTMKCNAE-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.42
Rot. Bonds3

About 1-(4-acetylphenyl)-3-morpholin-4-ylthiourea

1-(4-acetylphenyl)-3-morpholin-4-ylthiourea (PubChem CID 17282119) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-morpholin-4-ylthiourea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-morpholin-4-ylthiourea
PubChem CID17282119
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name1-(4-acetylphenyl)-3-morpholin-4-ylthiourea
SMILESCC(=O)c1ccc(NC(=S)NN2CCOCC2)cc1
InChIInChI=1S/C13H17N3O2S/c1-10(17)11-2-4-12(5-3-11)14-13(19)15-16-6-8-18-9-7-16/h2-5H,6-9H2,1H3,(H2,14,15,19)
InChIKeyPNAVMSWTMKCNAE-UHFFFAOYSA-N
XLogP1.42
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.42
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-(4-acetylphenyl)-3-(4-morpholin-4-ylphenyl)thiourea chloride
CID 53351041
1-morpholin-4-yl-3-(4-phenoxyphenyl)thiourea
CID 891971
1-(3-chloro-4-methylphenyl)-3-morpholin-4-ylthiourea
CID 19653735
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
1-(4-acetylphenyl)-3-(2,6-dimethylpiperidin-1-yl)thiourea
CID 4178428
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
N-(4-acetylphenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133552
N-(4-acetylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973161
N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306
4-hydrazinyl-N-morpholin-4-ylbenzamide
CID 83025076
1-(4-acetylphenyl)-3-(4-morpholin-4-ylsulfonyl-2-nitroanilino)thiourea
CID 5161325
2,2-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]propanamide
CID 17195011

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-morpholin-4-ylthiourea?
The IUPAC name of 1-(4-acetylphenyl)-3-morpholin-4-ylthiourea (CID 17282119) is 1-(4-acetylphenyl)-3-morpholin-4-ylthiourea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-morpholin-4-ylthiourea?
The canonical SMILES for 1-(4-acetylphenyl)-3-morpholin-4-ylthiourea is CC(=O)c1ccc(NC(=S)NN2CCOCC2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-morpholin-4-ylthiourea?
The InChIKey is PNAVMSWTMKCNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-10(17)11-2-4-12(5-3-11)14-13(19)15-16-6-8-18-9-7-16/h2-5H,6-9H2,1H3,(H2,14,15,19).
What are the key properties of 1-(4-acetylphenyl)-3-morpholin-4-ylthiourea?
1-(4-acetylphenyl)-3-morpholin-4-ylthiourea has a molecular weight of 279.37 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-morpholin-4-ylthiourea is sourced from PubChem (CID 17282119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).