1-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea

C16H25N5O2S2 — CID 8618749

IUPAC1-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea
SMILESCCOc1ccc(NC(=S)NNC(=S)NCCN2CCOCC2)cc1
InChIInChI=1S/C16H25N5O2S2/c1-2-23-14-5-3-13(4-6-14)18-16(25)20-19-15(24)17-7-8-21-9-11-22-12-10-21/h3-6H,2,7-12H2,1H3,(H2,17,19,24)(H2,18,20,25)
InChIKeyYWFFYHFMPMFTBJ-UHFFFAOYSA-N
MW383.54 g/mol
LogP1.08
Rot. Bonds6

About 1-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea

1-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea (PubChem CID 8618749) has the molecular formula C16H25N5O2S2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea
PubChem CID8618749
Molecular FormulaC16H25N5O2S2
Molecular Weight383.54 g/mol
Exact Mass383.14
IUPAC Name1-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea
SMILESCCOc1ccc(NC(=S)NNC(=S)NCCN2CCOCC2)cc1
InChIInChI=1S/C16H25N5O2S2/c1-2-23-14-5-3-13(4-6-14)18-16(25)20-19-15(24)17-7-8-21-9-11-22-12-10-21/h3-6H,2,7-12H2,1H3,(H2,17,19,24)(H2,18,20,25)
InChIKeyYWFFYHFMPMFTBJ-UHFFFAOYSA-N
XLogP1.08
TPSA69.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

1-N'-(4-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973678
1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea
CID 2974218
1-(4-butylphenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 2192072
1-(3,4-dipropoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 8660334
1,3-bis(4-ethoxyphenyl)thiourea;germane
CID 172997762
1-[4-(ethylsulfamoyl)phenyl]-3-(2-morpholin-4-ylethyl)thiourea
CID 17255659
1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-(2-morpholin-4-ylethyl)carbamimidoyl]-3-(4-ethoxyphenyl)thiourea
CID 17089920
4-ethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide
CID 979170
1-(4-ethoxyphenyl)-3-(2-methoxyethyl)thiourea
CID 8620154
1-(2-morpholin-4-ylethyl)-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea
CID 8656184
3-ethoxy-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 48581819
1,3-bis(4-ethoxyphenyl)thiourea;dysprosium
CID 88592955

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea (CID 8618749) is 1-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea is CCOc1ccc(NC(=S)NNC(=S)NCCN2CCOCC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea?
The InChIKey is YWFFYHFMPMFTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2S2/c1-2-23-14-5-3-13(4-6-14)18-16(25)20-19-15(24)17-7-8-21-9-11-22-12-10-21/h3-6H,2,7-12H2,1H3,(H2,17,19,24)(H2,18,20,25).
What are the key properties of 1-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea?
1-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea has a molecular weight of 383.54 g/mol, XLogP of 1.08, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea is sourced from PubChem (CID 8618749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).