1-(4-chlorophenyl)-3-[(2-morpholin-4-ylacetyl)amino]thiourea

C13H17ClN4O2S — CID 2981868

IUPAC1-(4-chlorophenyl)-3-[(2-morpholin-4-ylacetyl)amino]thiourea
SMILESO=C(CN1CCOCC1)NNC(=S)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN4O2S/c14-10-1-3-11(4-2-10)15-13(21)17-16-12(19)9-18-5-7-20-8-6-18/h1-4H,5-9H2,(H,16,19)(H2,15,17,21)
InChIKeyRETZSDSXLFTCQL-UHFFFAOYSA-N
MW328.83 g/mol
LogP0.99
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[(2-morpholin-4-ylacetyl)amino]thiourea

1-(4-chlorophenyl)-3-[(2-morpholin-4-ylacetyl)amino]thiourea (PubChem CID 2981868) has the molecular formula C13H17ClN4O2S and a molecular weight of 328.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(2-morpholin-4-ylacetyl)amino]thiourea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(2-morpholin-4-ylacetyl)amino]thiourea
PubChem CID2981868
Molecular FormulaC13H17ClN4O2S
Molecular Weight328.83 g/mol
Exact Mass328.08
IUPAC Name1-(4-chlorophenyl)-3-[(2-morpholin-4-ylacetyl)amino]thiourea
SMILESO=C(CN1CCOCC1)NNC(=S)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN4O2S/c14-10-1-3-11(4-2-10)15-13(21)17-16-12(19)9-18-5-7-20-8-6-18/h1-4H,5-9H2,(H,16,19)(H2,15,17,21)
InChIKeyRETZSDSXLFTCQL-UHFFFAOYSA-N
XLogP0.99
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.83
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-N'-[2-(4-morpholinyl)ethyl]thiourea
CID 841905
2-(4-morpholinylacetyl)-N-phenylhydrazinecarbothioamide
CID 954334
1-(4-Chlorophenyl)-3-morpholinothiourea
CID 4179018
N-[4-(4-chlorophenyl)-2,5-dioxopiperazino]-2-morpholinoacetamide
CID 2816675
1-(3-Chlorophenyl)-3-(3-morpholin-4-ylpropanoylamino)urea
CID 2978868
N-(3,4-dichlorophenyl)-N'-4-morpholinylthiourea
CID 970410
N-(4-chlorophenyl)-N'-[4-(4-chlorophenyl)-2,5-dioxo-1-piperazinyl]thiourea
CID 990364
N-[4-(4-chlorophenyl)-2,5-dioxopiperazino]-N'-phenylurea
CID 2816695
N-(3-Chlorophenyl)-N'-(4-morpholinyl)urea
CID 4356493
N-(4-chlorophenyl)-2-(morpholin-4-yl)-2-thioxoacetamide
CID 2229628
1-(4-Chlorophenyl)-3-(4-methylpiperazin-1-yl)thiourea
CID 4360726
N-(4-chlorophenyl)-N'-(4-morpholinyl)urea
CID 5064754

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(2-morpholin-4-ylacetyl)amino]thiourea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(2-morpholin-4-ylacetyl)amino]thiourea (CID 2981868) is 1-(4-chlorophenyl)-3-[(2-morpholin-4-ylacetyl)amino]thiourea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(2-morpholin-4-ylacetyl)amino]thiourea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(2-morpholin-4-ylacetyl)amino]thiourea is O=C(CN1CCOCC1)NNC(=S)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(2-morpholin-4-ylacetyl)amino]thiourea?
The InChIKey is RETZSDSXLFTCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2S/c14-10-1-3-11(4-2-10)15-13(21)17-16-12(19)9-18-5-7-20-8-6-18/h1-4H,5-9H2,(H,16,19)(H2,15,17,21).
What are the key properties of 1-(4-chlorophenyl)-3-[(2-morpholin-4-ylacetyl)amino]thiourea?
1-(4-chlorophenyl)-3-[(2-morpholin-4-ylacetyl)amino]thiourea has a molecular weight of 328.83 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(2-morpholin-4-ylacetyl)amino]thiourea is sourced from PubChem (CID 2981868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).