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

C13H19N3OS — CID 2917531

IUPAC1-(2,3-dimethylphenyl)-3-morpholin-4-ylthiourea
SMILESCc1cccc(NC(=S)NN2CCOCC2)c1C
InChIInChI=1S/C13H19N3OS/c1-10-4-3-5-12(11(10)2)14-13(18)15-16-6-8-17-9-7-16/h3-5H,6-9H2,1-2H3,(H2,14,15,18)
InChIKeyPSCVJDSOPBFPKM-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.84
Rot. Bonds2

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

1-(2,3-dimethylphenyl)-3-morpholin-4-ylthiourea (PubChem CID 2917531) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-morpholin-4-ylthiourea.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-morpholin-4-ylthiourea
PubChem CID2917531
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name1-(2,3-dimethylphenyl)-3-morpholin-4-ylthiourea
SMILESCc1cccc(NC(=S)NN2CCOCC2)c1C
InChIInChI=1S/C13H19N3OS/c1-10-4-3-5-12(11(10)2)14-13(18)15-16-6-8-17-9-7-16/h3-5H,6-9H2,1-2H3,(H2,14,15,18)
InChIKeyPSCVJDSOPBFPKM-UHFFFAOYSA-N
XLogP1.84
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.84
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

1-(2,3-dimethylphenyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]thiourea
CID 8683516
1-(2,3-dimethylphenyl)-3-[(1R)-2-morpholin-4-yl-1-phenylethyl]thiourea
CID 8564078
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
1-(3-chloro-4-methylphenyl)-3-morpholin-4-ylthiourea
CID 19653735
1-(2,3-dimethylphenyl)-3-ethylthiourea
CID 4930198
1-[(2S)-butan-2-yl]-3-(2,3-dimethylphenyl)thiourea
CID 8619676
1-(4-acetylphenyl)-3-morpholin-4-ylthiourea
CID 17282119
2-(2,3-dimethylanilino)-N-(2,3-dimethylphenyl)-2-sulfanylideneacetamide
CID 3596672
N-(2,3-dimethylphenyl)-6-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109096051
N-(2,3-dimethylphenyl)oxane-4-carboxamide
CID 31962553
N-(2,3-dimethylphenyl)-2-[4-(2-morpholin-4-ylethylcarbamothioyl)piperazin-1-yl]acetamide
CID 9215225
1-(2,3-dimethylphenyl)-3-(ethylcarbamothioylamino)thiourea
CID 7941891

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-morpholin-4-ylthiourea?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-morpholin-4-ylthiourea (CID 2917531) is 1-(2,3-dimethylphenyl)-3-morpholin-4-ylthiourea.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-morpholin-4-ylthiourea?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-morpholin-4-ylthiourea is Cc1cccc(NC(=S)NN2CCOCC2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-morpholin-4-ylthiourea?
The InChIKey is PSCVJDSOPBFPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-10-4-3-5-12(11(10)2)14-13(18)15-16-6-8-17-9-7-16/h3-5H,6-9H2,1-2H3,(H2,14,15,18).
What are the key properties of 1-(2,3-dimethylphenyl)-3-morpholin-4-ylthiourea?
1-(2,3-dimethylphenyl)-3-morpholin-4-ylthiourea has a molecular weight of 265.38 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-morpholin-4-ylthiourea is sourced from PubChem (CID 2917531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).